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

Systemtic Name: dimethyl 3-methyl-5-(3-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(3-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(3-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(3-phenylpropylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H22N2O4S2/c1-12-14(17(22)24-2)16(27-15(12)18(23)25-3)21-19(26)20-11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,7,10-11H2,1-3H3,(H2,20,21,26)