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

Systemtic Name: methyl 2-(cyclooctylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclooctylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclooctylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclooctylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclooctylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2CCCCCCC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2CCCCCCC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2S2/c1-15-18(16-11-7-6-8-12-16)19(21(25)26-2)20(28-15)24-22(27)23-17-13-9-4-3-5-10-14-17/h6-8,11-12,17H,3-5,9-10,13-14H2,1-2H3,(H2,23,24,27)