N-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-pyridyl)-4-(2-thienylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-pyridinyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-pyridin-3-yl-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-pyridyl)-4-(2-thenyl)-1,4-diazepane-1-carboxamide Formula: C16H20N4OS MolecularWeight: 316.4212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CN=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CN=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C16H20N4OS/c21-16(18-14-4-1-6-17-12-14)20-8-3-7-19(9-10-20)13-15-5-2-11-22-15/h1-2,4-6,11-12H,3,7-10,13H2,(H,18,21)