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

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-hexyl-3-methyl-butanamide Openeye Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-hexyl-3-methyl-butanamide CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-hexyl-3-methylbutanamide IUPAC Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-hexyl-3-methylbutanamide Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-hexyl-3-methyl-butyramide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(C(C)C)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCCCCCNC(=O)[C@H](C(C)C)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C18H27N3O3S/c1-4-5-6-9-12-19-18(22)16(13(2)3)20-17-14-10-7-8-11-15(14)25(23,24)21-17/h7-8,10-11,13,16H,4-6,9,12H2,1-3H3,(H,19,22)(H,20,21)/t16-/m0/s1