1,1-bis(oxidanylidene)-2-[2-oxidanyl-3-(propylamino)propyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[2-oxidanyl-3-(propylamino)propyl]-1,2-benzothiazol-3-one Openeye Name: 2-[2-hydroxy-3-(propylamino)propyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-hydroxy-3-(propylamino)propyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-hydroxy-3-(propylamino)propyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-hydroxy-3-(propylamino)propyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(CN1C(=O)C2=CC=CC=C2S1(=O)=O)O

Isomeric SMILES

CCCNCC(CN1C(=O)C2=CC=CC=C2S1(=O)=O)O

InChI

InChI=1S/C13H18N2O4S/c1-2-7-14-8-10(16)9-15-13(17)11-5-3-4-6-12(11)20(15,18)19/h3-6,10,14,16H,2,7-9H2,1H3