N-[2-oxidanylidene-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-oxo-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-oxo-2-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-oxo-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC=CS2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC=CS2)CC3=CC=CC=N3

InChI

InChI=1S/C18H22N4O2S/c23-17(13-20-18(24)16-6-3-12-25-16)22-9-4-8-21(10-11-22)14-15-5-1-2-7-19-15/h1-3,5-7,12H,4,8-11,13-14H2,(H,20,24)