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

Systemtic Name: methyl 3-chloranyl-6-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(3-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c1-28-16-5-3-4-15(13-16)25-8-10-26(11-9-25)22(30)24-14-6-7-17-18(12-14)31-20(19(17)23)21(27)29-2/h3-7,12-13H,8-11H2,1-2H3,(H,24,30)