2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-(6-pyrrolidin-1-yl-3-pyridyl)butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-[6-(1-pyrrolidinyl)-3-pyridinyl]butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-(6-pyrrolidino-3-pyridyl)butyramide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CN=C(C=C1)N2CCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CSCCC(C(=O)NC1=CN=C(C=C1)N2CCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H25N5O3S2/c1-30-13-10-17(24-20-16-6-2-3-7-18(16)31(28,29)25-20)21(27)23-15-8-9-19(22-14-15)26-11-4-5-12-26/h2-3,6-9,14,17H,4-5,10-13H2,1H3,(H,23,27)(H,24,25)