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

Systemtic Name: 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-12-3-7-14(18(23)24)11-16(12)20-19(26)21-17(22)10-6-13-4-8-15(25-2)9-5-13/h3-11H,1-2H3,(H,23,24)(H2,20,21,22,26)/b10-6+