3-methyl-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-methyl-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-isopentylsulfanyl-1,3-benzothiazol-6-yl)-3-methyl-benzamide CAS Name: 3-methyl-N-[2-(3-methylbutylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-methyl-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-(isoamylthio)-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C20H22N2OS2 MolecularWeight: 370.53148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)C

InChI

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