methyl 2-(cyclooctylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclooctylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclooctylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclooctylamino)-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclooctylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(cyclooctylthiocarbamoylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H33N3O3S2 MolecularWeight: 439.63502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CCCCCCC2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CCCCCCC2)C(=O)OC)C

InChI

InChI=1S/C21H33N3O3S2/c1-5-24(6-2)19(25)17-14(3)16(20(26)27-4)18(29-17)23-21(28)22-15-12-10-8-7-9-11-13-15/h15H,5-13H2,1-4H3,(H2,22,23,28)