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

Systemtic Name: 4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[(E)-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[(E)-3-(2,4-dichlorophenyl)acryloyl]thiocarbamoylamino]benzoic acid Formula: C17H12Cl2N2O3S MolecularWeight: 395.25978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2N2O3S/c18-12-5-1-10(14(19)9-12)4-8-15(22)21-17(25)20-13-6-2-11(3-7-13)16(23)24/h1-9H,(H,23,24)(H2,20,21,22,25)/b8-4+