methyl 3-(azepan-1-ylcarbothioylamino)benzoate

Systemtic Name: methyl 3-(azepan-1-ylcarbothioylamino)benzoate Openeye Name: methyl 3-(azepane-1-carbothioylamino)benzoate CAS Name: 3-[[1-azepanyl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(azepane-1-carbothioylamino)benzoate Traditional Name: 3-(azepane-1-carbothioylamino)benzoic acid methyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)N2CCCCCC2

InChI

InChI=1S/C15H20N2O2S/c1-19-14(18)12-7-6-8-13(11-12)16-15(20)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H,16,20)