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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-pyridin-3-ylethyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(3-pyridyl)ethyl]propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(3-pyridinyl)ethyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-pyridin-3-ylethyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-[2-(3-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=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NCCC3=CN=CC=C3

InChI

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