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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-pyridin-2-ylethyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(2-pyridyl)ethyl]propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(2-pyridinyl)ethyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-pyridin-2-ylethyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-[2-(2-pyridyl)ethyl]propionamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NCCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C17H18N4O3S/c22-16(19-11-8-13-5-3-4-10-18-13)9-12-20-17-14-6-1-2-7-15(14)25(23,24)21-17/h1-7,10H,8-9,11-12H2,(H,19,22)(H,20,21)