2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-piperidinophenyl)propionamide Formula: C22H32N6OS MolecularWeight: 428.59408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C22H32N6OS/c1-16(30-22-26-25-20(28(22)23)17-8-4-2-5-9-17)21(29)24-18-10-12-19(13-11-18)27-14-6-3-7-15-27/h10-13,16-17H,2-9,14-15,23H2,1H3,(H,24,29)