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

Systemtic Name: methyl 2-(azepan-1-ylcarbothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(azepane-1-carbothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-azepanyl(sulfanylidene)methyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(azepane-1-carbothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(azepane-1-carbothioylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H20N2O2S2 MolecularWeight: 312.4508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCCCCC2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCCCCC2)C(=O)OC

InChI

InChI=1S/C14H20N2O2S2/c1-10-9-11(13(17)18-2)12(20-10)15-14(19)16-7-5-3-4-6-8-16/h9H,3-8H2,1-2H3,(H,15,19)