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

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(4-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(p-tolyl)piperazine-1-carbothioamide CAS Name: 4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,6-dichloro-1-benzothiophene-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(p-tolyl)piperazine-1-carbothioamide Formula: C21H19Cl2N3OS2 MolecularWeight: 464.43106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3OS2/c1-13-2-5-15(6-3-13)24-21(28)26-10-8-25(9-11-26)20(27)19-18(23)16-7-4-14(22)12-17(16)29-19/h2-7,12H,8-11H2,1H3,(H,24,28)