methyl 4-ethyl-5-methyl-2-[[1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[1-(3-phenoxybenzyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4O3S2/c1-4-22-17(2)35-24(23(22)25(31)32-3)29-26(34)28-19-14-27-30(16-19)15-18-9-8-12-21(13-18)33-20-10-6-5-7-11-20/h5-14,16H,4,15H2,1-3H3,(H2,28,29,34)