4-butoxy-N-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-butoxy-N-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-butoxy-N-[2-[(4-fluoro-1-naphthyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-butoxy-N-[2-[(4-fluoro-1-naphthalenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-butoxy-N-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-butoxy-N-[2-[(4-fluoro-1-naphthyl)methylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C29H25FN2O2S2 MolecularWeight: 516.649403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C5=CC=CC=C45)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C5=CC=CC=C45)F

InChI

InChI=1S/C29H25FN2O2S2/c1-2-3-16-34-22-12-8-19(9-13-22)28(33)31-21-11-15-26-27(17-21)36-29(32-26)35-18-20-10-14-25(30)24-7-5-4-6-23(20)24/h4-15,17H,2-3,16,18H2,1H3,(H,31,33)