4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-[(2-methylthiazol-4-yl)methylsulfanyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4-[(2-methylthiazol-4-yl)methylthio]benzamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H21N5O2S2/c1-14-24-17(12-29-14)13-30-18-5-2-15(3-6-18)21(28)25-16-4-7-19(23-10-16)26-9-8-22-20(27)11-26/h2-7,10,12H,8-9,11,13H2,1H3,(H,22,27)(H,25,28)