4-ethanoyl-N-(2-methoxy-5-methyl-phenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-ethanoyl-N-(2-methoxy-5-methyl-phenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(2-methoxy-5-methyl-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(2-methoxy-5-methylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(2-methoxy-5-methylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(2-methoxy-5-methyl-phenyl)-1,4-diazepane-1-carbothioamide Formula: C16H23N3O2S MolecularWeight: 321.43772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCCN(CC2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCCN(CC2)C(=O)C

InChI

InChI=1S/C16H23N3O2S/c1-12-5-6-15(21-3)14(11-12)17-16(22)19-8-4-7-18(9-10-19)13(2)20/h5-6,11H,4,7-10H2,1-3H3,(H,17,22)