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

Systemtic Name: dimethyl 3-methyl-5-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-benzylpiperidine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-benzylpiperidine-1-carbothioyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-benzylpiperidine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O4S2/c1-14-17(20(25)27-2)19(30-18(14)21(26)28-3)23-22(29)24-11-9-16(10-12-24)13-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3,(H,23,29)