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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(1,3-diphenyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(1,3-diphenylpyrazol-4-yl)methylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C29H31N5O3S2 MolecularWeight: 561.71814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C29H31N5O3S2/c1-5-33(6-2)27(35)25-19(3)23(28(36)37-4)26(39-25)31-29(38)30-17-21-18-34(22-15-11-8-12-16-22)32-24(21)20-13-9-7-10-14-20/h7-16,18H,5-6,17H2,1-4H3,(H2,30,31,38)