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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26N4O4S2 MolecularWeight: 510.62834

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4S2/c1-15-19(24(32)33-4)22(35-20(15)23(31)29(2)3)28-25(34)27-18-12-8-11-17(13-18)21(30)26-14-16-9-6-5-7-10-16/h5-13H,14H2,1-4H3,(H,26,30)(H2,27,28,34)