N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C22H26N2O2S/c25-20-9-2-1-5-13-24(20)14-6-12-23-22(26)19-15-17-11-10-16-7-3-4-8-18(16)21(17)27-19/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,23,26)