dimethyl 3-methyl-5-(4-phenylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(4-phenylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(4-phenylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-phenylbutylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(4-phenylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(4-phenylbutylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H24N2O4S2/c1-13-15(18(23)25-2)17(28-16(13)19(24)26-3)22-20(27)21-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-12H2,1-3H3,(H2,21,22,27)