4-(azocan-1-ylsulfonylmethyl)benzenecarbothioamide

Systemtic Name: 4-(azocan-1-ylsulfonylmethyl)benzenecarbothioamide Openeye Name: 4-(azocan-1-ylsulfonylmethyl)benzenecarbothioamide CAS Name: 4-(1-azocanylsulfonylmethyl)benzenecarbothioamide IUPAC Name: 4-(azocan-1-ylsulfonylmethyl)benzenecarbothioamide Traditional Name: 4-(azocan-1-ylsulfonylmethyl)thiobenzamide Formula: C15H22N2O2S2 MolecularWeight: 326.47738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C15H22N2O2S2/c16-15(20)14-8-6-13(7-9-14)12-21(18,19)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-12H2,(H2,16,20)