6-(1,3-benzothiazol-2-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-[3-(2-oxoazepan-1-yl)propyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[3-(2-oxo-1-azepanyl)propyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-[3-(2-oxoazepan-1-yl)propyl]cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[3-(2-ketoazepan-1-yl)propyl]cyclohex-3-ene-1-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H29N3O2S/c27-21-13-2-1-7-15-26(21)16-8-14-24-22(28)17-9-3-4-10-18(17)23-25-19-11-5-6-12-20(19)29-23/h3-6,11-12,17-18H,1-2,7-10,13-16H2,(H,24,28)