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

Systemtic Name: ethyl 2-(heptylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(heptylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(heptylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(heptylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(heptylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S2/c1-4-6-7-8-12-15-23-22(27)24-20-19(21(25)26-5-2)18(16(3)28-20)17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15H2,1-3H3,(H2,23,24,27)