2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]ethanamide Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide CAS Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide Traditional Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NN=CN2C3CC3)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NN=CN2C3CC3)N4CCCCC4

InChI

InChI=1S/C21H29N5O2S/c1-28-18-9-5-16(6-10-18)19(25-11-3-2-4-12-25)13-22-20(27)14-29-21-24-23-15-26(21)17-7-8-17/h5-6,9-10,15,17,19H,2-4,7-8,11-14H2,1H3,(H,22,27)