diethyl 5-[bis(phenylmethyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[bis(phenylmethyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(dibenzylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(dibenzylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(dibenzylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

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