N-(diphenylmethyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(diphenylmethyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-benzhydryl-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(diphenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-benzhydryl-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-benzhydryl-1,4-diazepane-1-carbothioamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-17(25)23-13-8-14-24(16-15-23)21(26)22-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-16H2,1H3,(H,22,26)