N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C18H16Cl2N2OS2 MolecularWeight: 411.36844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)Cl

InChI

InChI=1S/C18H16Cl2N2OS2/c1-11-4-6-12(7-5-11)24-10-2-3-15(23)21-18-22-16-13(19)8-9-14(20)17(16)25-18/h4-9H,2-3,10H2,1H3,(H,21,22,23)