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

Systemtic Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,6-diisopropylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[2,6-di(propan-2-yl)anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(2,6-diisopropylphenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C)C(=O)OC

InChI

InChI=1S/C21H28N2O2S2/c1-7-14-11-17(20(24)25-6)19(27-14)23-21(26)22-18-15(12(2)3)9-8-10-16(18)13(4)5/h8-13H,7H2,1-6H3,(H2,22,23,26)