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

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN(CC2)CC3=NC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN(CC2)CC3=NC=CS3)OC

InChI

InChI=1S/C19H25N3O3S2/c1-24-16-5-4-15(12-17(16)25-2)27-14-19(23)22-8-3-7-21(9-10-22)13-18-20-6-11-26-18/h4-6,11-12H,3,7-10,13-14H2,1-2H3