ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-(2-dimethylaminoethylcarbamoyl)prop-2-enoate

Systemtic Name: ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-(2-dimethylaminoethylcarbamoyl)prop-2-enoate Openeye Name: ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-(2-dimethylaminoethylcarbamoyl)prop-2-enoate CAS Name: (E)-3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2-[(2-dimethylaminoethylamino)-oxomethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-(2-dimethylaminoethylcarbamoyl)prop-2-enoate Traditional Name: (E)-3-[(4-chlorophenyl)thiocarbamoylamino]-2-(2-dimethylaminoethylcarbamoyl)acrylic acid ethyl ester Formula: C17H23ClN4O3S MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/NC(=S)NC1=CC=C(C=C1)Cl)/C(=O)NCCN(C)C

InChI

InChI=1S/C17H23ClN4O3S/c1-4-25-16(24)14(15(23)19-9-10-22(2)3)11-20-17(26)21-13-7-5-12(18)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,19,23)(H2,20,21,26)/b14-11+