methyl 5-(dimethylcarbamoyl)-2-(dipentylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-(dipentylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-(dipentylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(dipentylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-(dipentylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 2-(diamylthiocarbamoylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H35N3O3S2 MolecularWeight: 441.6509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C21H35N3O3S2/c1-7-9-11-13-24(14-12-10-8-2)21(28)22-18-16(20(26)27-6)15(3)17(29-18)19(25)23(4)5/h7-14H2,1-6H3,(H,22,28)