2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid Openeye Name: 2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid CAS Name: 2-[[[[3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]benzoic acid Traditional Name: 2-[[3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]benzoic acid Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H13ClN2O3S/c18-12-8-5-11(6-9-12)7-10-15(21)20-17(24)19-14-4-2-1-3-13(14)16(22)23/h1-10H,(H,22,23)(H2,19,20,21,24)