N-(4-acetamidophenyl)-4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(4-acetamidophenyl)-4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(4-acetamidophenyl)-4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxo-butanamide CAS Name: N-(4-acetamidophenyl)-4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(4-acetamidophenyl)-4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanamide Traditional Name: N-(4-acetamidophenyl)-4-[4-(1,2-benzothiazol-3-yl)piperazino]-4-keto-butyramide Formula: C23H25N5O3S MolecularWeight: 451.5413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H25N5O3S/c1-16(29)24-17-6-8-18(9-7-17)25-21(30)10-11-22(31)27-12-14-28(15-13-27)23-19-4-2-3-5-20(19)32-26-23/h2-9H,10-15H2,1H3,(H,24,29)(H,25,30)