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

Systemtic Name: propyl 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: propyl 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-2-13-26-19(25)15-7-10-16(11-8-15)22-20(27)23-18(24)12-9-14-5-3-4-6-17(14)21/h3-12H,2,13H2,1H3,(H2,22,23,24,27)/b12-9+