N-methyl-N-[2-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-methyl-N-[2-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-methyl-N-[2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-methyl-N-[2-[oxo-[3-(2-oxo-1-azepanyl)propylamino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-methyl-N-[2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[3-(2-ketoazepan-1-yl)propylcarbamoyl]phenyl]-N-methyl-thiophene-2-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCCN2CCCCCC2=O)C(=O)C3=CC=CS3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCCN2CCCCCC2=O)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N3O3S/c1-24(22(28)19-11-7-16-29-19)18-10-5-4-9-17(18)21(27)23-13-8-15-25-14-6-2-3-12-20(25)26/h4-5,7,9-11,16H,2-3,6,8,12-15H2,1H3,(H,23,27)