2,8-dimethyl-4-oxidanylidene-N-(4-propan-2-ylphenyl)pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide

Systemtic Name: 2,8-dimethyl-4-oxidanylidene-N-(4-propan-2-ylphenyl)pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide Openeye Name: N-(4-isopropylphenyl)-2,8-dimethyl-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide CAS Name: 2,8-dimethyl-4-oxo-N-(4-propan-2-ylphenyl)-3-pyrimido[2,1-b][1,3]benzothiazolesulfonamide IUPAC Name: 2,8-dimethyl-4-oxo-N-(4-propan-2-ylphenyl)pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide Traditional Name: 4-keto-2,8-dimethyl-N-p-cumenyl-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N3C(=O)C(=C(N=C3S2)C)S(=O)(=O)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N3C(=O)C(=C(N=C3S2)C)S(=O)(=O)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C21H21N3O3S2/c1-12(2)15-6-8-16(9-7-15)23-29(26,27)19-14(4)22-21-24(20(19)25)17-10-5-13(3)11-18(17)28-21/h5-12,23H,1-4H3