8-[[3-[2-(1H-indol-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-(1H-indol-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(1H-indol-6-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(1H-indol-6-ylamino)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(1H-indol-6-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(1H-indol-6-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C34H25N3O4S MolecularWeight: 571.645

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)C=CN3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)C=CN3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C34H25N3O4S/c38-32(27-13-4-9-22-10-5-14-28(30(22)27)34(40)41)36-24-11-6-12-26(19-24)42-31(23-7-2-1-3-8-23)33(39)37-25-16-15-21-17-18-35-29(21)20-25/h1-20,31,35H,(H,36,38)(H,37,39)(H,40,41)