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

Systemtic Name: 8-[[3-[1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(4-iodoanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(4-iodoanilino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(4-iodoanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(4-iodoanilino)-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H21IN2O4S MolecularWeight: 596.43611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21IN2O4S/c1-16(25(31)29-19-13-11-18(28)12-14-19)35-21-8-4-7-20(15-21)30-26(32)22-9-2-5-17-6-3-10-23(24(17)22)27(33)34/h2-16H,1H3,(H,29,31)(H,30,32)(H,33,34)