8-[[3-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-(phenylcarbamoyl)propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[(1-anilino-1-oxobutan-2-yl)thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-(1-anilino-1-oxobutan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-(phenylcarbamoyl)propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H24N2O4S MolecularWeight: 484.56616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O4S/c1-2-24(27(32)29-19-11-4-3-5-12-19)35-21-14-8-13-20(17-21)30-26(31)22-15-6-9-18-10-7-16-23(25(18)22)28(33)34/h3-17,24H,2H2,1H3,(H,29,32)(H,30,31)(H,33,34)