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

Systemtic Name: dimethyl 3-methyl-5-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C24H23N3O5S2 MolecularWeight: 497.58652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H23N3O5S2/c1-14-18(22(29)31-2)21(34-19(14)23(30)32-3)27-24(33)26-17-11-7-10-16(12-17)20(28)25-13-15-8-5-4-6-9-15/h4-12H,13H2,1-3H3,(H,25,28)(H2,26,27,33)