N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C17H15BrN2OS2 MolecularWeight: 407.3478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2OS2/c18-12-8-9-14-15(11-12)23-17(19-14)20-16(21)7-4-10-22-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20,21)