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

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-hexyl-propanamide Openeye Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-hexyl-propanamide CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-hexylpropanamide IUPAC Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-hexylpropanamide Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-hexyl-propionamide Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-3-4-5-8-11-17-16(20)12(2)18-15-13-9-6-7-10-14(13)23(21,22)19-15/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,20)(H,18,19)/t12-/m0/s1