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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC4=CC=CC=C4)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC4=CC=CC=C4)C)C(=O)OC

InChI

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