N-[(3,4-dichlorophenyl)methyl]-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-(3,4-dichlorobenzyl)-1,4-diazepane-1-carbothioamide Formula: C20H23Cl2N3S MolecularWeight: 408.38772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H23Cl2N3S/c21-18-8-7-17(13-19(18)22)14-23-20(26)25-10-4-9-24(11-12-25)15-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,23,26)