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

Systemtic Name: N-(4-acetamidophenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C21H28N6O2S/c1-14(19(29)23-17-8-6-16(7-9-17)22-15(2)28)30-21-25-24-20(27(21)18-10-11-18)26-12-4-3-5-13-26/h6-9,14,18H,3-5,10-13H2,1-2H3,(H,22,28)(H,23,29)