methyl 2-(azepan-1-ylcarbothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(azepan-1-ylcarbothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(azepane-1-carbothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-azepanyl(sulfanylidene)methyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(azepane-1-carbothioylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(azepane-1-carbothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCCCCC2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCCCCC2)C(=O)OC)C

InChI

InChI=1S/C19H29N3O3S2/c1-5-21(6-2)17(23)15-13(3)14(18(24)25-4)16(27-15)20-19(26)22-11-9-7-8-10-12-22/h5-12H2,1-4H3,(H,20,26)