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

Systemtic Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Openeye Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-butoxy-benzamide CAS Name: N-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-butoxybenzamide IUPAC Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-butoxybenzamide Traditional Name: N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Formula: C25H23BrN2O2S2 MolecularWeight: 527.49632

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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(C=C4)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H23BrN2O2S2/c1-2-3-14-30-21-11-6-18(7-12-21)24(29)27-20-10-13-22-23(15-20)32-25(28-22)31-16-17-4-8-19(26)9-5-17/h4-13,15H,2-3,14,16H2,1H3,(H,27,29)