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

Systemtic Name: methyl 3-chloranyl-6-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(o-tolylmethyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(2-methylphenyl)methyl]piperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(2-methylbenzyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H24ClN3O2S2 MolecularWeight: 474.03856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O2S2/c1-15-5-3-4-6-16(15)14-26-9-11-27(12-10-26)23(30)25-17-7-8-18-19(13-17)31-21(20(18)24)22(28)29-2/h3-8,13H,9-12,14H2,1-2H3,(H,25,30)