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

Systemtic Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H15ClN2O3S MolecularWeight: 374.8413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H15ClN2O3S/c1-11-2-6-13(17(23)24)10-15(11)20-18(25)21-16(22)9-5-12-3-7-14(19)8-4-12/h2-10H,1H3,(H,23,24)(H2,20,21,22,25)/b9-5+