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

Systemtic Name: methyl 4,5-dimethyl-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S2/c1-14-15(2)31-21(19(14)22(28)29-3)26-23(30)25-18-11-7-10-17(12-18)20(27)24-13-16-8-5-4-6-9-16/h4-12H,13H2,1-3H3,(H,24,27)(H2,25,26,30)