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

Systemtic Name: ethyl 2-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C33H32N4O3S2 MolecularWeight: 596.76218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C33H32N4O3S2/c1-5-39-32(38)29-28(25-14-8-6-9-15-25)23(4)42-31(29)35-33(41)34-30-21(2)36-37(22(30)3)20-24-13-12-18-27(19-24)40-26-16-10-7-11-17-26/h6-19H,5,20H2,1-4H3,(H2,34,35,41)