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

Systemtic Name: N-(3-ethylphenyl)-2,8-dimethyl-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide Openeye Name: N-(3-ethylphenyl)-2,8-dimethyl-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide CAS Name: N-(3-ethylphenyl)-2,8-dimethyl-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolesulfonamide IUPAC Name: N-(3-ethylphenyl)-2,8-dimethyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide Traditional Name: N-(3-ethylphenyl)-4-keto-2,8-dimethyl-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C4=C(S3)C=C(C=C4)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NS(=O)(=O)C2=C(N=C3N(C2=O)C4=C(S3)C=C(C=C4)C)C

InChI

InChI=1S/C20H19N3O3S2/c1-4-14-6-5-7-15(11-14)22-28(25,26)18-13(3)21-20-23(19(18)24)16-9-8-12(2)10-17(16)27-20/h5-11,22H,4H2,1-3H3