(2S,3S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-(4-methylsulfanylphenyl)pentanamide

Systemtic Name: (2S,3S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-(4-methylsulfanylphenyl)pentanamide Openeye Name: (2S,3S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(4-methylsulfanylphenyl)pentanamide CAS Name: (2S,3S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-[4-(methylthio)phenyl]pentanamide IUPAC Name: (2S,3S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(4-methylsulfanylphenyl)pentanamide Traditional Name: (2S,3S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-[4-(methylthio)phenyl]valeramide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)SC)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)SC)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N3O3S2/c1-4-13(2)18(20(24)21-14-9-11-15(27-3)12-10-14)22-19-16-7-5-6-8-17(16)28(25,26)23-19/h5-13,18H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-,18-/m0/s1