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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)propanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(6-pyrrolidin-1-yl-3-pyridyl)propanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[6-(1-pyrrolidinyl)-3-pyridinyl]propanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)propanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(6-pyrrolidino-3-pyridyl)propionamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3S/c1-13(21-18-15-6-2-3-7-16(15)28(26,27)23-18)19(25)22-14-8-9-17(20-12-14)24-10-4-5-11-24/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,21,23)(H,22,25)