2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-[oxo(4-thiazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[4-(thiazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCN(CC2)C(=O)C3=CSC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCCN(CC2)C(=O)C3=CSC=N3)OC

InChI

InChI=1S/C19H23N3O4S/c1-25-16-5-4-14(10-17(16)26-2)11-18(23)21-6-3-7-22(9-8-21)19(24)15-12-27-13-20-15/h4-5,10,12-13H,3,6-9,11H2,1-2H3