3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarbothioamide IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]thiobenzamide Formula: C14H21N3S MolecularWeight: 263.40164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

CN1CCCN(CC1)CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C14H21N3S/c1-16-6-3-7-17(9-8-16)11-12-4-2-5-13(10-12)14(15)18/h2,4-5,10H,3,6-9,11H2,1H3,(H2,15,18)