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

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-pentyl-butanamide Openeye Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-pentyl-butanamide CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-pentylbutanamide IUPAC Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-pentylbutanamide Traditional Name: (2S)-N-amyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-butyramide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-4-5-8-11-18-17(21)15(12(2)3)19-16-13-9-6-7-10-14(13)24(22,23)20-16/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1