methyl 2-[(4-butoxycarbonylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-butoxycarbonylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-butoxycarbonylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[butoxy(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-butoxycarbonylphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4-butoxycarbonylphenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c1-4-6-11-26-18(23)13-7-9-14(10-8-13)21-20(27)22-17-16(19(24)25-3)12-15(5-2)28-17/h7-10,12H,4-6,11H2,1-3H3,(H2,21,22,27)