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

Systemtic Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,6-diisopropylphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2,6-di(propan-2-yl)anilino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2,6-diisopropylphenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C)C

InChI

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