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

Systemtic Name: methyl 3-chloranyl-6-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H23ClN4O2S2 MolecularWeight: 499.04802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C

InChI

InChI=1S/C24H23ClN4O2S2/c1-13-7-5-6-8-16(13)12-29-15(3)21(14(2)28-29)27-24(32)26-17-9-10-18-19(11-17)33-22(20(18)25)23(30)31-4/h5-11H,12H2,1-4H3,(H2,26,27,32)