3-(1,3-benzothiazol-2-yl)-2-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-phenyl-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-phenyl-propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-phenyl-propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-phenylpropanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-phenylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[6-(3-ketopiperazino)-3-pyridyl]-2-methyl-2-phenyl-propionamide Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NC4=CN=C(C=C4)N5CCNC(=O)C5

Isomeric SMILES

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NC4=CN=C(C=C4)N5CCNC(=O)C5

InChI

InChI=1S/C26H25N5O2S/c1-26(18-7-3-2-4-8-18,15-24-30-20-9-5-6-10-21(20)34-24)25(33)29-19-11-12-22(28-16-19)31-14-13-27-23(32)17-31/h2-12,16H,13-15,17H2,1H3,(H,27,32)(H,29,33)