dimethyl 3-methyl-5-[(4-propylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-propylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-propyl-1-piperazinyl)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCCN1CCN(CC1)C(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C17H25N3O4S2/c1-5-6-19-7-9-20(10-8-19)17(25)18-14-12(15(21)23-3)11(2)13(26-14)16(22)24-4/h5-10H2,1-4H3,(H,18,25)