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

Systemtic Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,6-diisopropylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2,6-di(propan-2-yl)anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2,6-diisopropylphenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S2/c1-11(2)14-8-7-9-15(12(3)4)17(14)21-20(25)22-18-16(19(23)24-6)10-13(5)26-18/h7-12H,1-6H3,(H2,21,22,25)