(2R)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-pyridin-3-yl-butanamide

Systemtic Name: (2R)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-pyridin-3-yl-butanamide Openeye Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-(3-pyridyl)butanamide CAS Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-(3-pyridinyl)butanamide IUPAC Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-pyridin-3-ylbutanamide Traditional Name: (2R)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-(3-pyridyl)butyramide Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S2/c1-25-10-8-14(17(22)19-12-5-4-9-18-11-12)20-16-13-6-2-3-7-15(13)26(23,24)21-16/h2-7,9,11,14H,8,10H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1