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

Systemtic Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,3-diphenyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C26H26N4O2S2 MolecularWeight: 490.64024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4O2S2/c1-4-21-17(2)34-24(22(21)25(31)32-3)28-26(33)27-15-19-16-30(20-13-9-6-10-14-20)29-23(19)18-11-7-5-8-12-18/h5-14,16H,4,15H2,1-3H3,(H2,27,28,33)