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

Systemtic Name: diethyl 3-methyl-5-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O5S2/c1-4-33-24(31)20-16(3)21(25(32)34-5-2)36-23(20)29-26(35)28-19-13-9-12-18(14-19)22(30)27-15-17-10-7-6-8-11-17/h6-14H,4-5,15H2,1-3H3,(H,27,30)(H2,28,29,35)