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

Systemtic Name: 4-methyl-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-isopentylsulfanyl-1,3-benzothiazol-6-yl)-4-methyl-benzamide CAS Name: 4-methyl-N-[2-(3-methylbutylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-methyl-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-(isoamylthio)-1,3-benzothiazol-6-yl]-4-methyl-benzamide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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