methyl 2-(azepan-1-ylcarbothioylamino)-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(azepan-1-ylcarbothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(azepane-1-carbothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[1-azepanyl(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(azepane-1-carbothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(azepane-1-carbothioylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCCCCC2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCCCCC2)C(=O)OC

InChI

InChI=1S/C15H22N2O2S2/c1-3-11-10-12(14(18)19-2)13(21-11)16-15(20)17-8-6-4-5-7-9-17/h10H,3-9H2,1-2H3,(H,16,20)