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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2OS2/c1-13-8-10-14(11-9-13)22-12-4-7-17(21)20-18-19-15-5-2-3-6-16(15)23-18/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20,21)