methyl 5-(diethylcarbamoyl)-2-[1-(3-methoxyphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[1-(3-methoxyphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[1-(3-methoxyphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[1-(3-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[1-(3-methoxyphenyl)ethylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[1-(3-methoxyphenyl)ethylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC(C)C2=CC(=CC=C2)OC)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC(C)C2=CC(=CC=C2)OC)C(=O)OC)C

InChI

InChI=1S/C22H29N3O4S2/c1-7-25(8-2)20(26)18-13(3)17(21(27)29-6)19(31-18)24-22(30)23-14(4)15-10-9-11-16(12-15)28-5/h9-12,14H,7-8H2,1-6H3,(H2,23,24,30)