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

Systemtic Name: methyl 3-chloranyl-6-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H24ClN5O2S2 MolecularWeight: 478.03056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C

InChI

InChI=1S/C21H24ClN5O2S2/c1-13-14(11-25(2)24-13)12-26-6-8-27(9-7-26)21(30)23-15-4-5-16-17(10-15)31-19(18(16)22)20(28)29-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,30)