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

Systemtic Name: ethyl 2-[(4-butoxycarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-butoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[butoxy(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-butoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-butoxycarbonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H28N2O4S2/c1-3-5-15-32-24(29)19-11-13-20(14-12-19)27-26(33)28-23-22(25(30)31-4-2)17-21(34-23)16-18-9-7-6-8-10-18/h6-14,17H,3-5,15-16H2,1-2H3,(H2,27,28,33)