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

Systemtic Name: dimethyl 5-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(1,3-diphenyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1,3-diphenylpyrazol-4-yl)methylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C26H24N4O4S2 MolecularWeight: 520.62316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H24N4O4S2/c1-16-20(24(31)33-2)23(36-22(16)25(32)34-3)28-26(35)27-14-18-15-30(19-12-8-5-9-13-19)29-21(18)17-10-6-4-7-11-17/h4-13,15H,14H2,1-3H3,(H2,27,28,35)