2-[[(2S)-1-[(4-chlorophenyl)carbamothioyloxy]propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(2S)-1-[(4-chlorophenyl)carbamothioyloxy]propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[(1S)-2-[(4-chlorophenyl)carbamothioyloxy]-1-methyl-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[(2S)-1-[(4-chloroanilino)-sulfanylidenemethoxy]propan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(2S)-1-[(4-chlorophenyl)carbamothioyloxy]propan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[(1S)-2-[(4-chlorophenyl)thiocarbamoyloxy]-1-methyl-ethyl]carbamoyl]benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=S)NC1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](COC(=S)NC1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H17ClN2O4S/c1-11(10-25-18(26)21-13-8-6-12(19)7-9-13)20-16(22)14-4-2-3-5-15(14)17(23)24/h2-9,11H,10H2,1H3,(H,20,22)(H,21,26)(H,23,24)/t11-/m0/s1