2-(3,4-dimethoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]thiazole-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-4-thiazolecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[3-(2-ketoazepan-1-yl)propyl]thiazole-4-carboxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NCCCN3CCCCCC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NCCCN3CCCCCC3=O)OC

InChI

InChI=1S/C21H27N3O4S/c1-27-17-9-8-15(13-18(17)28-2)21-23-16(14-29-21)20(26)22-10-6-12-24-11-5-3-4-7-19(24)25/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,22,26)