4-(phenylmethyl)-N-(2-phenylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(phenylmethyl)-N-(2-phenylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-(2-phenylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(phenylmethyl)-N-(2-phenylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-(2-phenylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-(2-phenylphenyl)-1,4-diazepane-1-carbothioamide Formula: C25H27N3S MolecularWeight: 401.56698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=CC=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=CC=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3S/c29-25(26-24-15-8-7-14-23(24)22-12-5-2-6-13-22)28-17-9-16-27(18-19-28)20-21-10-3-1-4-11-21/h1-8,10-15H,9,16-20H2,(H,26,29)