methyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(3-chlorophenyl)ethylthiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22ClN3O3S2 MolecularWeight: 439.97928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC(=CC=C2)Cl)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC(=CC=C2)Cl)C(=O)N(C)C

InChI

InChI=1S/C19H22ClN3O3S2/c1-11-14(18(25)26-4)16(28-15(11)17(24)23(2)3)22-19(27)21-9-8-12-6-5-7-13(20)10-12/h5-7,10H,8-9H2,1-4H3,(H2,21,22,27)