8-[[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C35H29N3O4S MolecularWeight: 587.68746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O)C6=CC=CC=C61

InChI

InChI=1S/C35H29N3O4S/c1-3-38-30-13-5-4-10-26(30)29-20-24(16-19-31(29)38)37-33(39)21(2)43-25-17-14-23(15-18-25)36-34(40)27-11-6-8-22-9-7-12-28(32(22)27)35(41)42/h4-21H,3H2,1-2H3,(H,36,40)(H,37,39)(H,41,42)