8-[[3-[2-[(3-cyano-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-[(3-cyano-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-[(3-cyano-4-phenyl-2-thienyl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-[(3-cyano-4-phenyl-2-thiophenyl)amino]-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-[(3-cyano-4-phenyl-2-thienyl)amino]-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C37H25N3O4S2 MolecularWeight: 639.7421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C37H25N3O4S2/c38-21-30-31(23-10-3-1-4-11-23)22-45-36(30)40-35(42)33(25-12-5-2-6-13-25)46-27-17-9-16-26(20-27)39-34(41)28-18-7-14-24-15-8-19-29(32(24)28)37(43)44/h1-20,22,33H,(H,39,41)(H,40,42)(H,43,44)