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

Systemtic Name: 4-(1,2-benzothiazol-3-yl)-N-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-(1,2-benzothiazol-3-yl)-1-piperazinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioamide Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4OS2/c1-14(25)15-6-8-16(9-7-15)21-20(26)24-12-10-23(11-13-24)19-17-4-2-3-5-18(17)27-22-19/h2-9H,10-13H2,1H3,(H,21,26)