methyl 3-chloranyl-6-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(3,5-dimethyl-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H21ClN4O2S2 MolecularWeight: 485.02144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C

InChI

InChI=1S/C23H21ClN4O2S2/c1-13-10-14(2)28(27-13)12-15-4-6-16(7-5-15)25-23(31)26-17-8-9-18-19(11-17)32-21(20(18)24)22(29)30-3/h4-11H,12H2,1-3H3,(H2,25,26,31)