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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

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