1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-morpholino-5-morpholinosulfonyl-phenyl)thiourea CAS Name: 1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(2-morpholino-5-morpholinosulfonyl-phenyl)thiourea Formula: C22H26BrN5O5S2 MolecularWeight: 584.50634

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NNC=C4C=C(C=CC4=O)Br

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NNC=C4C=C(C=CC4=O)Br

InChI

InChI=1S/C22H26BrN5O5S2/c23-17-1-4-21(29)16(13-17)15-24-26-22(34)25-19-14-18(35(30,31)28-7-11-33-12-8-28)2-3-20(19)27-5-9-32-10-6-27/h1-4,13-15,24H,5-12H2,(H2,25,26,34)