ethyl (Z)-2-(benzamidocarbamoyl)-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate

Systemtic Name: ethyl (Z)-2-(benzamidocarbamoyl)-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate Openeye Name: ethyl (Z)-2-(benzamidocarbamoyl)-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate CAS Name: (Z)-2-[(benzoylhydrazo)-oxomethyl]-3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-(benzamidocarbamoyl)-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate Traditional Name: (Z)-2-(benzamidocarbamoyl)-3-[(4-chlorophenyl)thiocarbamoylamino]acrylic acid ethyl ester Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=CC=C(C=C1)Cl)C(=O)NNC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C\NC(=S)NC1=CC=C(C=C1)Cl)/C(=O)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H19ClN4O4S/c1-2-29-19(28)16(12-22-20(30)23-15-10-8-14(21)9-11-15)18(27)25-24-17(26)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,24,26)(H,25,27)(H2,22,23,30)/b16-12-