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

Systemtic Name: methyl 3-chloranyl-6-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H21ClN4O2S2 MolecularWeight: 436.97864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

InChI

InChI=1S/C19H21ClN4O2S2/c1-11-9-12(2)24(23-11)8-4-7-21-19(27)22-13-5-6-14-15(10-13)28-17(16(14)20)18(25)26-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,21,22,27)