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

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-quinolin-3-yl-butanamide Openeye Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(3-quinolyl)butanamide CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(3-quinolinyl)butanamide IUPAC Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-quinolin-3-ylbutanamide Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(3-quinolyl)butyramide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=CC=CC=C2N=C1)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=CC=CC=C2N=C1)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H20N4O3S/c1-13(2)19(24-20-16-8-4-6-10-18(16)29(27,28)25-20)21(26)23-15-11-14-7-3-5-9-17(14)22-12-15/h3-13,19H,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1