4-(1,2-benzothiazol-3-yl)-N-(4-butylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,2-benzothiazol-3-yl)-N-(4-butylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,2-benzothiazol-3-yl)-N-(4-butylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,2-benzothiazol-3-yl)-N-(4-butylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,2-benzothiazol-3-yl)-N-(4-butylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,2-benzothiazol-3-yl)-N-(4-butylphenyl)piperazine-1-carbothioamide Formula: C22H26N4S2 MolecularWeight: 410.59864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H26N4S2/c1-2-3-6-17-9-11-18(12-10-17)23-22(27)26-15-13-25(14-16-26)21-19-7-4-5-8-20(19)28-24-21/h4-5,7-12H,2-3,6,13-16H2,1H3,(H,23,27)