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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-prop-2-ynyl-propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-prop-2-ynyl-propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-prop-2-ynylpropanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-prop-2-ynylpropanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-propargyl-propionamide Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

C#CCNC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H13N3O3S/c1-2-8-14-12(17)7-9-15-13-10-5-3-4-6-11(10)20(18,19)16-13/h1,3-6H,7-9H2,(H,14,17)(H,15,16)