N-(2,5-dimethoxyphenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(2,5-dimethoxyphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(2,5-dimethoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(2,5-dimethoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(2,5-dimethoxyphenyl)-1,4-diazepane-1-carbothioamide Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C16H23N3O3S/c1-12(20)18-7-4-8-19(10-9-18)16(23)17-14-11-13(21-2)5-6-15(14)22-3/h5-6,11H,4,7-10H2,1-3H3,(H,17,23)