N-[(2R)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2R)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1R)-1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2R)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2R)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1R)-1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)[C@@H](CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S2/c1-24(14-19-22-16-10-6-7-11-18(16)28-19)21(26)17(12-13-27-2)23-20(25)15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,23,25)/t17-/m1/s1