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

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C19H19ClN2O2S2 MolecularWeight: 406.94936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O2S2/c1-12-5-7-13(8-6-12)25-11-3-4-16(23)21-19-22-17-15(24-2)10-9-14(20)18(17)26-19/h5-10H,3-4,11H2,1-2H3,(H,21,22,23)