N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]butyl]thiophene-3-carboxamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C20H27N3O2S/c1-22-12-6-8-17(22)18-7-3-2-4-13-23(18)19(24)9-5-11-21-20(25)16-10-14-26-15-16/h6,8,10,12,14-15,18H,2-5,7,9,11,13H2,1H3,(H,21,25)