N-(3-chlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide Formula: C13H18ClN3S MolecularWeight: 283.82012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CN1CCCN(CC1)C(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H18ClN3S/c1-16-6-3-7-17(9-8-16)13(18)15-12-5-2-4-11(14)10-12/h2,4-5,10H,3,6-9H2,1H3,(H,15,18)