N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C17H14Cl2N2OS2 MolecularWeight: 397.34186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

InChI

InChI=1S/C17H14Cl2N2OS2/c18-12-8-9-13-16(15(12)19)21-17(24-13)20-14(22)7-4-10-23-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,20,21,22)