methyl 4-(azepan-1-ylcarbothioylamino)benzoate

Systemtic Name: methyl 4-(azepan-1-ylcarbothioylamino)benzoate Openeye Name: methyl 4-(azepane-1-carbothioylamino)benzoate CAS Name: 4-[[1-azepanyl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(azepane-1-carbothioylamino)benzoate Traditional Name: 4-(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=C(C=C1)NC(=S)N2CCCCCC2

Isomeric SMILES

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

InChI

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