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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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