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

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Traditional Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C24H25Cl2N3OS2 MolecularWeight: 506.5108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25Cl2N3OS2/c1-3-15(2)16-4-7-18(8-5-16)27-24(31)29-12-10-28(11-13-29)23(30)22-21(26)19-9-6-17(25)14-20(19)32-22/h4-9,14-15H,3,10-13H2,1-2H3,(H,27,31)