N-[(E)-[1-(1,3-benzothiazol-2-yl)-1-cyano-6-[(3-nitrophenyl)amino]-6-oxidanylidene-hexan-2-ylidene]amino]-3-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[(E)-[1-(1,3-benzothiazol-2-yl)-1-cyano-6-[(3-nitrophenyl)amino]-6-oxidanylidene-hexan-2-ylidene]amino]-3-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[(E)-[1-[1,3-benzothiazol-2-yl(cyano)methyl]-5-(3-nitroanilino)-5-oxo-pentylidene]amino]-3-hydroxy-naphthalene-2-carboxamide CAS Name: N-[(E)-[1-(1,3-benzothiazol-2-yl)-1-cyano-6-(3-nitroanilino)-6-oxohexan-2-ylidene]amino]-3-hydroxy-2-naphthalenecarboxamide IUPAC Name: N-[(E)-[1-(1,3-benzothiazol-2-yl)-1-cyano-6-(3-nitroanilino)-6-oxohexan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide Traditional Name: N-[(E)-[1-[1,3-benzothiazol-2-yl(cyano)methyl]-5-keto-5-(3-nitroanilino)pentylidene]amino]-3-hydroxy-2-naphthamide Formula: C31H24N6O5S MolecularWeight: 592.62446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=C(CCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(C#N)C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C(\CCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])/C(C#N)C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C31H24N6O5S/c32-18-24(31-34-26-11-3-4-13-28(26)43-31)25(12-6-14-29(39)33-21-9-5-10-22(17-21)37(41)42)35-36-30(40)23-15-19-7-1-2-8-20(19)16-27(23)38/h1-5,7-11,13,15-17,24,38H,6,12,14H2,(H,33,39)(H,36,40)/b35-25+