sodium 4-[[[3-[2-[(Z)-[3,5-bis(bromanyl)-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]hydrazinyl]-2-(naphthalen-1-ylamino)-3-oxidanylidene-propanoyl]amino]carbamothioylamino]benzenesulfonate

Systemtic Name: sodium 4-[[[3-[2-[(Z)-[3,5-bis(bromanyl)-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]hydrazinyl]-2-(naphthalen-1-ylamino)-3-oxidanylidene-propanoyl]amino]carbamothioylamino]benzenesulfonate Openeye Name: sodium 4-[[[3-[2-[(Z)-(3,5-dibromo-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-2-(1-naphthylamino)-3-oxo-propanoyl]amino]carbamothioylamino]benzenesulfonate CAS Name: sodium 4-[[[[3-[[(Z)-(3,5-dibromo-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-2-(1-naphthalenylamino)-1,3-dioxopropyl]hydrazo]-sulfanylidenemethyl]amino]benzenesulfonate IUPAC Name: sodium 4-[[[3-[2-[(Z)-(3,5-dibromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-(naphthalen-1-ylamino)-3-oxopropanoyl]amino]carbamothioylamino]benzenesulfonate Traditional Name: sodium 4-[[[3-[N'-[(Z)-(3,5-dibromo-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-keto-2-(1-naphthylamino)propanoyl]amino]thiocarbamoylamino]besylate Formula: C27H21Br2N6NaO7S2 MolecularWeight: 788.41941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(C(=O)NNC=C3C=C(C(=C(C3=O)Br)O)Br)C(=O)NNC(=S)NC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(C(=O)NN/C=C\3/C=C(C(=C(C3=O)Br)O)Br)C(=O)NNC(=S)NC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H22Br2N6O7S2.Na/c28-19-12-15(23(36)21(29)24(19)37)13-30-33-25(38)22(32-20-7-3-5-14-4-1-2-6-18(14)20)26(39)34-35-27(43)31-16-8-10-17(11-9-16)44(40,41)42;/h1-13,22,30,32,37H,(H,33,38)(H,34,39)(H2,31,35,43)(H,40,41,42);/q;+1/p-1/b15-13-;