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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-pyridylmethyl)propanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(4-pyridylmethyl)propionamide Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=NC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NCC1=CC=NC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H16N4O3S/c1-11(16(21)18-10-12-6-8-17-9-7-12)19-15-13-4-2-3-5-14(13)24(22,23)20-15/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20)