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

Systemtic Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-benzoate Openeye Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-benzoate CAS Name: 3-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoate IUPAC Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methylbenzoate Traditional Name: 3-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-2-methyl-benzoate Formula: C18H14ClN2O3S- MolecularWeight: 373.83336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C18H15ClN2O3S/c1-11-14(17(23)24)3-2-4-15(11)20-18(25)21-16(22)10-7-12-5-8-13(19)9-6-12/h2-10H,1H3,(H,23,24)(H2,20,21,22,25)/p-1/b10-7+