1-pyridin-2-yl-3-[1,1,3-tris(oxidanylidene)-2-propan-2-yl-1,2-benzothiazol-4-yl]urea

Systemtic Name: 1-pyridin-2-yl-3-[1,1,3-tris(oxidanylidene)-2-propan-2-yl-1,2-benzothiazol-4-yl]urea Openeye Name: 1-(2-isopropyl-1,1,3-trioxo-1,2-benzothiazol-4-yl)-3-(2-pyridyl)urea CAS Name: 1-(2-pyridinyl)-3-(1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazol-4-yl)urea IUPAC Name: 1-pyridin-2-yl-3-(1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazol-4-yl)urea Traditional Name: 1-(2-isopropyl-1,1,3-triketo-1,2-benzothiazol-4-yl)-3-(2-pyridyl)urea Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=CC=C2S1(=O)=O)NC(=O)NC3=CC=CC=N3

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=CC=C2S1(=O)=O)NC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C16H16N4O4S/c1-10(2)20-15(21)14-11(6-5-7-12(14)25(20,23)24)18-16(22)19-13-8-3-4-9-17-13/h3-10H,1-2H3,(H2,17,18,19,22)