2-(azepan-1-ylsulfonylmethyl)benzenecarbothioamide

Systemtic Name: 2-(azepan-1-ylsulfonylmethyl)benzenecarbothioamide Openeye Name: 2-(azepan-1-ylsulfonylmethyl)benzenecarbothioamide CAS Name: 2-(1-azepanylsulfonylmethyl)benzenecarbothioamide IUPAC Name: 2-(azepan-1-ylsulfonylmethyl)benzenecarbothioamide Traditional Name: 2-(azepan-1-ylsulfonylmethyl)thiobenzamide Formula: C14H20N2O2S2 MolecularWeight: 312.4508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2C(=S)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C14H20N2O2S2/c15-14(19)13-8-4-3-7-12(13)11-20(17,18)16-9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-11H2,(H2,15,19)