methyl 2-(heptan-2-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(heptan-2-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(1-methylhexylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(heptan-2-ylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(1-methylhexylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O2S2/c1-5-6-8-11-14(2)22-21(26)23-19-18(20(24)25-4)17(15(3)27-19)16-12-9-7-10-13-16/h7,9-10,12-14H,5-6,8,11H2,1-4H3,(H2,22,23,26)