dimethyl 3-methyl-5-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H25N3O5S2/c1-13-16(20(27)29-2)18(32-17(13)21(28)30-3)24-22(31)23-15-9-7-14(8-10-15)19(26)25-11-5-4-6-12-25/h7-10H,4-6,11-12H2,1-3H3,(H2,23,24,31)