(2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-phenyl-butanamide

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-phenyl-butanamide Openeye Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-phenyl-butanamide CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-phenylbutanamide IUPAC Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-phenylbutanamide Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-phenyl-butyramide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-12(2)16(18(22)19-13-8-4-3-5-9-13)20-17-14-10-6-7-11-15(14)25(23,24)21-17/h3-12,16H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1