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

Systemtic Name: 4-tert-butyl-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-(1-naphthylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-(1-naphthalenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-(1-naphthylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C29H26N2OS2 MolecularWeight: 482.65954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H26N2OS2/c1-29(2,3)22-13-11-20(12-14-22)27(32)30-23-15-16-25-26(17-23)34-28(31-25)33-18-21-9-6-8-19-7-4-5-10-24(19)21/h4-17H,18H2,1-3H3,(H,30,32)