[1-[(1-cyano-2-phenyl-ethyl)amino]-1-oxidanylidene-butan-2-yl] 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenyl-ethyl)amino]-1-oxidanylidene-butan-2-yl] 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate Openeye Name: 1-[(1-cyano-2-phenyl-ethyl)carbamoyl]propyl 2-[(1-ethoxycarbonyl-4-piperidyl)amino]thiazole-4-carboxylate CAS Name: 2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-4-thiazolecarboxylic acid [1-[(1-cyano-2-phenylethyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylethyl)amino]-1-oxobutan-2-yl] 2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(1-carbethoxy-4-piperidyl)amino]thiazole-4-carboxylic acid 1-[(1-cyano-2-phenyl-ethyl)carbamoyl]propyl ester Formula: C25H31N5O5S MolecularWeight: 513.60914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=CC=C1)C#N)OC(=O)C2=CSC(=N2)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC(C(=O)NC(CC1=CC=CC=C1)C#N)OC(=O)C2=CSC(=N2)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C25H31N5O5S/c1-3-21(22(31)27-19(15-26)14-17-8-6-5-7-9-17)35-23(32)20-16-36-24(29-20)28-18-10-12-30(13-11-18)25(33)34-4-2/h5-9,16,18-19,21H,3-4,10-14H2,1-2H3,(H,27,31)(H,28,29)