4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(2-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(2-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-N-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,6-dichloro-1-benzothiophene-2-carbonyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide Formula: C21H19Cl2N3O2S2 MolecularWeight: 480.43046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O2S2/c1-28-16-5-3-2-4-15(16)24-21(29)26-10-8-25(9-11-26)20(27)19-18(23)14-7-6-13(22)12-17(14)30-19/h2-7,12H,8-11H2,1H3,(H,24,29)