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

Systemtic Name: diethyl 3-methyl-5-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H26N4O4S2 MolecularWeight: 522.63904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H26N4O4S2/c1-4-33-24(31)21-16(3)22(25(32)34-5-2)36-23(21)29-26(35)28-19-13-27-30(15-19)14-18-11-8-10-17-9-6-7-12-20(17)18/h6-13,15H,4-5,14H2,1-3H3,(H2,28,29,35)