methyl 5-methyl-4-phenyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[1-(4-isopropylphenyl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[1-(4-propan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-(1-p-cumenylpropylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C(C)C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)C(C)C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H30N2O2S2/c1-6-21(19-14-12-18(13-15-19)16(2)3)27-26(31)28-24-23(25(29)30-5)22(17(4)32-24)20-10-8-7-9-11-20/h7-16,21H,6H2,1-5H3,(H2,27,28,31)