3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[2-(4-pyridyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(2-pyridin-4-yl-1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-[2-(4-pyridyl)pyrrolidino]propan-1-one Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C19H20N4O3S/c24-18(23-13-3-5-16(23)14-7-10-20-11-8-14)9-12-21-19-15-4-1-2-6-17(15)27(25,26)22-19/h1-2,4,6-8,10-11,16H,3,5,9,12-13H2,(H,21,22)