N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]acetamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C27H33N5O2S/c1-3-16-32-26(22-10-6-4-7-11-22)29-30-27(32)35-20-25(33)28-19-24(31-17-8-5-9-18-31)21-12-14-23(34-2)15-13-21/h3-4,6-7,10-15,24H,1,5,8-9,16-20H2,2H3,(H,28,33)