2-(azepan-1-ylsulfonyl)benzenecarbothioamide

Systemtic Name: 2-(azepan-1-ylsulfonyl)benzenecarbothioamide Openeye Name: 2-(azepan-1-ylsulfonyl)benzenecarbothioamide CAS Name: 2-(1-azepanylsulfonyl)benzenecarbothioamide IUPAC Name: 2-(azepan-1-ylsulfonyl)benzenecarbothioamide Traditional Name: 2-(azepan-1-ylsulfonyl)thiobenzamide Formula: C13H18N2O2S2 MolecularWeight: 298.42422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=S)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C13H18N2O2S2/c14-13(18)11-7-3-4-8-12(11)19(16,17)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2,(H2,14,18)