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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCC1=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/c1-2-3-4-16-5-8-18(9-6-16)27-24(31)29-13-11-28(12-14-29)23(30)22-21(26)19-10-7-17(25)15-20(19)32-22/h5-10,15H,2-4,11-14H2,1H3,(H,27,31)