8-[[4-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-(2-anilino-1-methyl-2-oxo-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[(1-anilino-1-oxopropan-2-yl)thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[(2-anilino-2-keto-1-methyl-ethyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C27H22N2O4S/c1-17(25(30)28-19-9-3-2-4-10-19)34-21-15-13-20(14-16-21)29-26(31)22-11-5-7-18-8-6-12-23(24(18)22)27(32)33/h2-17H,1H3,(H,28,30)(H,29,31)(H,32,33)