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

Systemtic Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylpiperazin-1-yl)carbonyl-benzamide Openeye Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylpiperazine-1-carbonyl)benzamide CAS Name: N-[2-[(4-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]benzamide IUPAC Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylpiperazine-1-carbonyl)benzamide Traditional Name: N-[2-[(4-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]-2-(4-methylpiperazine-1-carbonyl)benzamide Formula: C27H25FN4O2S2 MolecularWeight: 520.641403

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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=C(C=C5)F

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O2S2/c1-31-12-14-32(15-13-31)26(34)22-5-3-2-4-21(22)25(33)29-20-10-11-23-24(16-20)36-27(30-23)35-17-18-6-8-19(28)9-7-18/h2-11,16H,12-15,17H2,1H3,(H,29,33)