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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C16H16N4O3S/c21-15(19-11-12-4-3-8-17-10-12)7-9-18-16-13-5-1-2-6-14(13)24(22,23)20-16/h1-6,8,10H,7,9,11H2,(H,18,20)(H,19,21)