prop-2-ynyl 4-[4-[[2-(2-cyanoethylsulfanyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[[2-(2-cyanoethylsulfanyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[[2-(2-cyanoethylsulfanyl)phenyl]carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[2-(2-cyanoethylthio)anilino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[[2-(2-cyanoethylsulfanyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-(2-cyanoethylthio)phenyl]carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC=CC=C3SCCC#N

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC=CC=C3SCCC#N

InChI

InChI=1S/C22H22N4O3S2/c1-2-13-29-22(28)26-11-8-16(9-12-26)21-25-18(15-31-21)20(27)24-17-6-3-4-7-19(17)30-14-5-10-23/h1,3-4,6-7,15-16H,5,8-9,11-14H2,(H,24,27)