diethyl 3-methyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H31N3O4S2/c1-4-33-25(31)22-18(3)23(26(32)34-5-2)36-24(22)28-27(35)30-15-13-29(14-16-30)17-20-11-8-10-19-9-6-7-12-21(19)20/h6-12H,4-5,13-17H2,1-3H3,(H,28,35)