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

Systemtic Name: methyl 3-chloranyl-6-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-(o-tolylmethyl)pyrazol-3-yl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[1-[(2-methylphenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-(2-methylbenzyl)pyrazol-3-yl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H19ClN4O2S2 MolecularWeight: 470.99486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O2S2/c1-13-5-3-4-6-14(13)12-27-10-9-18(26-27)25-22(30)24-15-7-8-16-17(11-15)31-20(19(16)23)21(28)29-2/h3-11H,12H2,1-2H3,(H2,24,25,26,30)