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

Systemtic Name: methyl 6-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylcarbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propylthiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C19H20BrClN4O2S2 MolecularWeight: 515.8747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrClN4O2S2/c1-10-15(20)11(2)25(24-10)8-4-7-22-19(28)23-12-5-6-13-14(9-12)29-17(16(13)21)18(26)27-3/h5-6,9H,4,7-8H2,1-3H3,(H2,22,23,28)