ethyl (Z)-3-[(4-chlorophenyl)carbamothioylamino]-2-piperidin-1-ylcarbonyl-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[(4-chlorophenyl)carbamothioylamino]-2-piperidin-1-ylcarbonyl-prop-2-enoate Openeye Name: ethyl (Z)-3-[(4-chlorophenyl)carbamothioylamino]-2-(piperidine-1-carbonyl)prop-2-enoate CAS Name: (Z)-3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2-[oxo(1-piperidinyl)methyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[(4-chlorophenyl)carbamothioylamino]-2-(piperidine-1-carbonyl)prop-2-enoate Traditional Name: (Z)-3-[(4-chlorophenyl)thiocarbamoylamino]-2-(piperidine-1-carbonyl)acrylic acid ethyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=CC=C(C=C1)Cl)C(=O)N2CCCCC2

Isomeric SMILES

CCOC(=O)/C(=C\NC(=S)NC1=CC=C(C=C1)Cl)/C(=O)N2CCCCC2

InChI

InChI=1S/C18H22ClN3O3S/c1-2-25-17(24)15(16(23)22-10-4-3-5-11-22)12-20-18(26)21-14-8-6-13(19)7-9-14/h6-9,12H,2-5,10-11H2,1H3,(H2,20,21,26)/b15-12-