ethyl 5-methyl-2-(nonylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-(nonylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(nonylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(nonylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(nonylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(nonylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H34N2O2S2 MolecularWeight: 446.66896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C24H34N2O2S2/c1-4-6-7-8-9-10-14-17-25-24(29)26-22-21(23(27)28-5-2)20(18(3)30-22)19-15-12-11-13-16-19/h11-13,15-16H,4-10,14,17H2,1-3H3,(H2,25,26,29)