(2R)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-phenethyl-butanamide

Systemtic Name: (2R)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-phenethyl-butanamide Openeye Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-phenethyl-butanamide CAS Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-phenethylbutanamide IUPAC Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-phenethylbutanamide Traditional Name: (2R)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-phenethyl-butyramide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CSCC[C@H](C(=O)NCCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N3O3S2/c1-27-14-12-17(20(24)21-13-11-15-7-3-2-4-8-15)22-19-16-9-5-6-10-18(16)28(25,26)23-19/h2-10,17H,11-14H2,1H3,(H,21,24)(H,22,23)/t17-/m1/s1