4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C17H13ClN2O3S/c18-13-6-1-11(2-7-13)3-10-15(21)20-17(24)19-14-8-4-12(5-9-14)16(22)23/h1-10H,(H,22,23)(H2,19,20,21,24)/b10-3+