N-[2-(4-chlorophenyl)ethyl]-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-[2-(4-chlorophenyl)ethyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-[2-(4-chlorophenyl)ethyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-[2-(4-chlorophenyl)ethyl]-1,4-diazepane-1-carbothioamide Formula: C21H26ClN3S MolecularWeight: 387.96924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3S/c22-20-9-7-18(8-10-20)11-12-23-21(26)25-14-4-13-24(15-16-25)17-19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,23,26)