3-(azepan-1-ylcarbonyl)benzenecarbothioamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)benzenecarbothioamide Openeye Name: 3-(azepane-1-carbonyl)benzenecarbothioamide CAS Name: 3-[1-azepanyl(oxo)methyl]benzenecarbothioamide IUPAC Name: 3-(azepane-1-carbonyl)benzenecarbothioamide Traditional Name: 3-(azepane-1-carbonyl)thiobenzamide Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2OS/c15-13(18)11-6-5-7-12(10-11)14(17)16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9H2,(H2,15,18)