methyl 3-chloranyl-6-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C29H25ClN4O3S2 MolecularWeight: 577.1168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

InChI

InChI=1S/C29H25ClN4O3S2/c1-17-26(32-29(38)31-20-12-13-23-24(15-20)39-27(25(23)30)28(35)36-3)18(2)34(33-17)16-19-8-7-11-22(14-19)37-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H2,31,32,38)