ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-[methyl-(phenylmethyl)carbamoyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-[methyl-(phenylmethyl)carbamoyl]prop-2-enoate Openeye Name: ethyl (E)-2-[benzyl(methyl)carbamoyl]-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate CAS Name: (E)-3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2-[[methyl-(phenylmethyl)amino]-oxomethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[benzyl(methyl)carbamoyl]-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate Traditional Name: (E)-2-[benzyl(methyl)carbamoyl]-3-[(4-chlorophenyl)thiocarbamoylamino]acrylic acid ethyl ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=CC=C(C=C1)Cl)C(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C/NC(=S)NC1=CC=C(C=C1)Cl)/C(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C21H22ClN3O3S/c1-3-28-20(27)18(19(26)25(2)14-15-7-5-4-6-8-15)13-23-21(29)24-17-11-9-16(22)10-12-17/h4-13H,3,14H2,1-2H3,(H2,23,24,29)/b18-13+