N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)N3C=NC=N3)C4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)N3C=NC=N3)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS/c1-16-8-10-25(11-9-16)19(20-3-2-12-28-20)13-23-21(27)17-4-6-18(7-5-17)26-15-22-14-24-26/h2-7,12,14-16,19H,8-11,13H2,1H3,(H,23,27)