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

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(2-ethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(2-ethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-N-(2-ethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,6-dichloro-1-benzothiophene-2-carbonyl)-N-(2-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(2-ethylphenyl)piperazine-1-carbothioamide Formula: C22H21Cl2N3OS2 MolecularWeight: 478.45764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3OS2/c1-2-14-5-3-4-6-17(14)25-22(29)27-11-9-26(10-12-27)21(28)20-19(24)16-8-7-15(23)13-18(16)30-20/h3-8,13H,2,9-12H2,1H3,(H,25,29)