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

Systemtic Name: 4-ethanoyl-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)C(=O)C)C

InChI

InChI=1S/C17H25N3OS/c1-12-10-14(3)16(11-13(12)2)18-17(22)20-7-5-6-19(8-9-20)15(4)21/h10-11H,5-9H2,1-4H3,(H,18,22)