ethyl 4-(azepan-1-ylcarbothioylamino)benzoate

Systemtic Name: ethyl 4-(azepan-1-ylcarbothioylamino)benzoate Openeye Name: ethyl 4-(azepane-1-carbothioylamino)benzoate CAS Name: 4-[[1-azepanyl(sulfanylidene)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(azepane-1-carbothioylamino)benzoate Traditional Name: 4-(azepane-1-carbothioylamino)benzoic acid ethyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2S/c1-2-20-15(19)13-7-9-14(10-8-13)17-16(21)18-11-5-3-4-6-12-18/h7-10H,2-6,11-12H2,1H3,(H,17,21)