N-[2-(cyanomethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylpiperazin-1-yl)carbonyl-benzamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylpiperazin-1-yl)carbonyl-benzamide Openeye Name: N-[2-(cyanomethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylpiperazine-1-carbonyl)benzamide CAS Name: N-[2-(cyanomethylthio)-1,3-benzothiazol-6-yl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]benzamide IUPAC Name: N-[2-(cyanomethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-methylpiperazine-1-carbonyl)benzamide Traditional Name: N-[2-(cyanomethylthio)-1,3-benzothiazol-6-yl]-2-(4-methylpiperazine-1-carbonyl)benzamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC#N

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC#N

InChI

InChI=1S/C22H21N5O2S2/c1-26-9-11-27(12-10-26)21(29)17-5-3-2-4-16(17)20(28)24-15-6-7-18-19(14-15)31-22(25-18)30-13-8-23/h2-7,14H,9-13H2,1H3,(H,24,28)