methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,6-diisopropylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2,6-di(propan-2-yl)anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2,6-diisopropylphenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C)C(=O)OC)C3=CC=CC=C3

InChI

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