2-(1,4-diazepan-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-(1,4-diazepan-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]pyridine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide CAS Name: 2-(1,4-diazepan-1-yl)-N-[2-(phenylmethylthio)ethyl]-3-pyridinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(1,4-diazepan-1-yl)nicotinamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=CC=N2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CNCCN(C1)C2=C(C=CC=N2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4OS/c25-20(23-12-15-26-16-17-6-2-1-3-7-17)18-8-4-10-22-19(18)24-13-5-9-21-11-14-24/h1-4,6-8,10,21H,5,9,11-16H2,(H,23,25)