ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-(5-ethyl-2-methyl-piperidin-1-yl)carbonyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-(5-ethyl-2-methyl-piperidin-1-yl)carbonyl-prop-2-enoate Openeye Name: ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-(5-ethyl-2-methyl-piperidine-1-carbonyl)prop-2-enoate CAS Name: (E)-3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2-[(5-ethyl-2-methyl-1-piperidinyl)-oxomethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(4-chlorophenyl)carbamothioylamino]-2-(5-ethyl-2-methylpiperidine-1-carbonyl)prop-2-enoate Traditional Name: (E)-3-[(4-chlorophenyl)thiocarbamoylamino]-2-(5-ethyl-2-methyl-piperidine-1-carbonyl)acrylic acid ethyl ester Formula: C21H28ClN3O3S MolecularWeight: 437.98332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N(C1)C(=O)C(=CNC(=S)NC2=CC=C(C=C2)Cl)C(=O)OCC)C

Isomeric SMILES

CCC1CCC(N(C1)C(=O)/C(=C\NC(=S)NC2=CC=C(C=C2)Cl)/C(=O)OCC)C

InChI

InChI=1S/C21H28ClN3O3S/c1-4-15-7-6-14(3)25(13-15)19(26)18(20(27)28-5-2)12-23-21(29)24-17-10-8-16(22)9-11-17/h8-12,14-15H,4-7,13H2,1-3H3,(H2,23,24,29)/b18-12+