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

Systemtic Name: 8-[[3-[1-[(3-cyano-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-[(3-cyano-4-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-[(3-cyano-4-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-[(3-cyano-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-[(3-cyano-4-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C32H23N3O4S2 MolecularWeight: 577.67272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C32H23N3O4S2/c1-19(29(36)35-31-26(17-33)27(18-40-31)20-8-3-2-4-9-20)41-23-13-7-12-22(16-23)34-30(37)24-14-5-10-21-11-6-15-25(28(21)24)32(38)39/h2-16,18-19H,1H3,(H,34,37)(H,35,36)(H,38,39)