N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-homoveratryl-1,4-diazepane-1-carbothioamide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H27N3O3S/c1-14(22)20-9-4-10-21(12-11-20)18(25)19-8-7-15-5-6-16(23-2)17(13-15)24-3/h5-6,13H,4,7-12H2,1-3H3,(H,19,25)