N-(4-tert-butylphenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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