propyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: propyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: propyl 4-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)C

InChI

InChI=1S/C21H22N2O3S/c1-3-14-26-20(25)17-9-11-18(12-10-17)22-21(27)23-19(24)13-8-16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3,(H2,22,23,24,27)/b13-8+