N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=NC(=CS2)CN3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=NC(=CS2)CN3CCCCCC3)OC

InChI

InChI=1S/C20H27N3O3S/c1-25-17-8-7-15(11-18(17)26-2)12-19(24)22-20-21-16(14-27-20)13-23-9-5-3-4-6-10-23/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,21,22,24)