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

Systemtic Name: 2-(4-methylpiperazin-1-yl)carbonyl-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-(4-methylpiperazine-1-carbonyl)-N-[2-(1-naphthylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-[(4-methyl-1-piperazinyl)-oxomethyl]-N-[2-(1-naphthalenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-(4-methylpiperazine-1-carbonyl)-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-(4-methylpiperazine-1-carbonyl)-N-[2-(1-naphthylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C31H28N4O2S2 MolecularWeight: 552.70962

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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)SCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H28N4O2S2/c1-34-15-17-35(18-16-34)30(37)26-12-5-4-11-25(26)29(36)32-23-13-14-27-28(19-23)39-31(33-27)38-20-22-9-6-8-21-7-2-3-10-24(21)22/h2-14,19H,15-18,20H2,1H3,(H,32,36)