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

Systemtic Name: methyl 3-chloranyl-6-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-o-phenetylpiperazine-1-carbothioyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H24ClN3O3S2 MolecularWeight: 490.03796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C23H24ClN3O3S2/c1-3-30-18-7-5-4-6-17(18)26-10-12-27(13-11-26)23(31)25-15-8-9-16-19(14-15)32-21(20(16)24)22(28)29-2/h4-9,14H,3,10-13H2,1-2H3,(H,25,31)