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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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