2-chloranyl-5-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: 2-chloranyl-5-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 2-chloro-5-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-5-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]benzoate Formula: C17H11Cl2N2O3S- MolecularWeight: 394.25184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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