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

Systemtic Name: N-(1-pyridin-2-ylethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[1-(2-pyridyl)ethyl]-4-(2-thienylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[1-(2-pyridinyl)ethyl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-pyridin-2-ylethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-[1-(2-pyridyl)ethyl]-4-(2-thenyl)-1,4-diazepane-1-carboxamide Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(C1=CC=CC=N1)NC(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H24N4OS/c1-15(17-7-2-3-8-19-17)20-18(23)22-10-5-9-21(11-12-22)14-16-6-4-13-24-16/h2-4,6-8,13,15H,5,9-12,14H2,1H3,(H,20,23)