methyl 3-chloranyl-6-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(4-isobutylphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(4-isobutylphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H28ClN3O4S3 MolecularWeight: 566.15552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C25H28ClN3O4S3/c1-16(2)14-17-4-7-19(8-5-17)36(31,32)29-12-10-28(11-13-29)25(34)27-18-6-9-20-21(15-18)35-23(22(20)26)24(30)33-3/h4-9,15-16H,10-14H2,1-3H3,(H,27,34)