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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCCC(=O)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCCC(=O)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2S/c28-18(23-19(29)22-15-16-7-3-1-4-8-16)11-14-30-21-25-24-20(27(21)17-9-10-17)26-12-5-2-6-13-26/h1,3-4,7-8,17H,2,5-6,9-15H2,(H2,22,23,28,29)