N-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorobenzyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C18H24ClN5S MolecularWeight: 377.93466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC3=CC=CC=C3Cl

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H24ClN5S/c1-22-10-7-20-17(22)14-23-8-4-9-24(12-11-23)18(25)21-13-15-5-2-3-6-16(15)19/h2-3,5-7,10H,4,8-9,11-14H2,1H3,(H,21,25)