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

Systemtic Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]butyramide Formula: C18H17BrN2OS2 MolecularWeight: 421.37438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2OS2/c1-2-3-17(22)20-14-8-9-15-16(10-14)24-18(21-15)23-11-12-4-6-13(19)7-5-12/h4-10H,2-3,11H2,1H3,(H,20,22)