N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C17H14Cl2N2OS2 MolecularWeight: 397.34186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

InChI

InChI=1S/C17H14Cl2N2OS2/c1-10-2-4-11(5-3-10)23-9-8-14(22)20-17-21-16-13(24-17)7-6-12(18)15(16)19/h2-7H,8-9H2,1H3,(H,20,21,22)