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

Systemtic Name: methyl 3-chloranyl-6-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-(1,3-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[1-(1,3-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H19ClN4O2S2 MolecularWeight: 422.95206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

Isomeric SMILES

CC1=NN(C=C1C(C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

InChI

InChI=1S/C18H19ClN4O2S2/c1-9(13-8-23(3)22-10(13)2)20-18(26)21-11-5-6-12-14(7-11)27-16(15(12)19)17(24)25-4/h5-9H,1-4H3,(H2,20,21,26)