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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-(benzylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C18H21N3O3S2/c1-11-13(17(23)24-4)15(26-14(11)16(22)21(2)3)20-18(25)19-10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H2,19,20,25)