4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-butanamide CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-4-keto-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-15-5-6-18-19(13-15)30-22(24-18)25-20(28)7-8-21(29)27-11-9-26(10-12-27)17-4-2-3-16(23)14-17/h2-6,13-14H,7-12H2,1H3,(H,24,25,28)