4-(1,3-benzothiazol-2-yl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(3-ketopiperazino)benzyl]butyramide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O2S/c27-20(6-3-7-22-25-18-4-1-2-5-19(18)29-22)24-14-16-8-10-17(11-9-16)26-13-12-23-21(28)15-26/h1-2,4-5,8-11H,3,6-7,12-15H2,(H,23,28)(H,24,27)