methyl 3-chloranyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H25ClN3O2S2+ MolecularWeight: 487.0572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H24ClN3O2S2/c1-30-23(29)22-21(25)19-10-9-18(16-20(19)32-22)26-24(31)28-14-12-27(13-15-28)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3,(H,26,31)/p+1/b8-5+