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

Systemtic Name: 8-[[3-[1-[(3-cyano-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(3-cyano-4-phenyl-2-thienyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-[(3-cyano-4-phenyl-2-thiophenyl)amino]-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-[(3-cyano-4-phenylthiophen-2-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(3-cyano-4-phenyl-2-thienyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C33H25N3O4S2 MolecularWeight: 591.6993

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C#N)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C#N)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C33H25N3O4S2/c1-2-28(31(38)36-32-26(18-34)27(19-41-32)20-9-4-3-5-10-20)42-23-14-8-13-22(17-23)35-30(37)24-15-6-11-21-12-7-16-25(29(21)24)33(39)40/h3-17,19,28H,2H2,1H3,(H,35,37)(H,36,38)(H,39,40)