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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-pyrazol-1-ylpropyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-pyrazol-1-ylpropyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(1-pyrazolyl)propyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-pyrazol-1-ylpropyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(3-pyrazol-1-ylpropyl)propionamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NCCCN3C=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NCCCN3C=CC=N3

InChI

InChI=1S/C16H19N5O3S/c22-15(17-8-3-11-21-12-4-9-19-21)7-10-18-16-13-5-1-2-6-14(13)25(23,24)20-16/h1-2,4-6,9,12H,3,7-8,10-11H2,(H,17,22)(H,18,20)