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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-heptan-2-yl-propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-methylhexyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-heptan-2-ylpropanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-heptan-2-ylpropanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(1-methylhexyl)propionamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCCCCC(C)NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C17H25N3O3S/c1-3-4-5-8-13(2)19-16(21)11-12-18-17-14-9-6-7-10-15(14)24(22,23)20-17/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,18,20)(H,19,21)