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

Systemtic Name: ethyl 2-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C32H30N4O3S2 MolecularWeight: 582.7356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C32H30N4O3S2/c1-4-38-31(37)27-19-28(24-13-7-5-8-14-24)41-30(27)34-32(40)33-29-21(2)35-36(22(29)3)20-23-12-11-17-26(18-23)39-25-15-9-6-10-16-25/h5-19H,4,20H2,1-3H3,(H2,33,34,40)