3-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Openeye Name: 3-methyl-N-[2-(p-tolylmethylsulfanyl)-1,3-benzothiazol-6-yl]butanamide CAS Name: 3-methyl-N-[2-[(4-methylphenyl)methylthio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 3-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Traditional Name: 3-methyl-N-[2-[(4-methylbenzyl)thio]-1,3-benzothiazol-6-yl]butyramide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C20H22N2OS2/c1-13(2)10-19(23)21-16-8-9-17-18(11-16)25-20(22-17)24-12-15-6-4-14(3)5-7-15/h4-9,11,13H,10,12H2,1-3H3,(H,21,23)