2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C21H29N5O4S/c1-28-16-11-14(12-17(29-2)19(16)30-3)22-18(27)13-31-21-24-23-20(26(21)15-7-8-15)25-9-5-4-6-10-25/h11-12,15H,4-10,13H2,1-3H3,(H,22,27)