N-(2,6-diethylphenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(2,6-diethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(2,6-diethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(2,6-diethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(2,6-diethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCCN(CC2)C(=O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCCN(CC2)C(=O)C

InChI

InChI=1S/C18H27N3OS/c1-4-15-8-6-9-16(5-2)17(15)19-18(23)21-11-7-10-20(12-13-21)14(3)22/h6,8-9H,4-5,7,10-13H2,1-3H3,(H,19,23)