5-(1,3-benzothiazol-2-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(2-oxoazepan-1-yl)propyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(2-oxo-1-azepanyl)propyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(2-oxoazepan-1-yl)propyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(2-ketoazepan-1-yl)propyl]thiophene-2-carboxamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S2/c25-19-9-2-1-5-13-24(19)14-6-12-22-20(26)17-10-11-18(27-17)21-23-15-7-3-4-8-16(15)28-21/h3-4,7-8,10-11H,1-2,5-6,9,12-14H2,(H,22,26)