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

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzenecarbothioamide Openeye Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzenecarbothioamide CAS Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzenecarbothioamide IUPAC Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzenecarbothioamide Traditional Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]thiobenzamide Formula: C14H21N3O2S2 MolecularWeight: 327.46544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S2/c1-16-7-2-8-17(10-9-16)21(18,19)11-12-3-5-13(6-4-12)14(15)20/h3-6H,2,7-11H2,1H3,(H2,15,20)