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

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(4-bromophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazine-1-carbothioamide Formula: C20H16BrCl2N3OS2 MolecularWeight: 529.30054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrCl2N3OS2/c21-12-1-4-14(5-2-12)24-20(28)26-9-7-25(8-10-26)19(27)18-17(23)15-6-3-13(22)11-16(15)29-18/h1-6,11H,7-10H2,(H,24,28)