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

Systemtic Name: 2-[[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C31H27N3O4S MolecularWeight: 537.62878

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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=CC=C4C(=O)O)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C51

InChI

InChI=1S/C31H27N3O4S/c1-3-34-27-11-7-6-8-23(27)26-18-21(14-17-28(26)34)33-29(35)19(2)39-22-15-12-20(13-16-22)32-30(36)24-9-4-5-10-25(24)31(37)38/h4-19H,3H2,1-2H3,(H,32,36)(H,33,35)(H,37,38)