2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C24H30N6O3S2 MolecularWeight: 514.6634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C24H30N6O3S2/c1-18(30-23(25)27-28-24(30)34-17-14-19-8-4-2-5-9-19)22(31)26-20-10-12-21(13-11-20)35(32,33)29-15-6-3-7-16-29/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,25,27)(H,26,31)