8-methoxy-4-oxidanylidene-N-(2-phenylpropyl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

Systemtic Name: 8-methoxy-4-oxidanylidene-N-(2-phenylpropyl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Openeye Name: 8-methoxy-4-oxo-N-(2-phenylpropyl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide CAS Name: 8-methoxy-4-oxo-N-(2-phenylpropyl)-3-pyrimido[2,1-b][1,3]benzothiazolecarboxamide IUPAC Name: 8-methoxy-4-oxo-N-(2-phenylpropyl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Traditional Name: 4-keto-8-methoxy-N-(2-phenylpropyl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-13(14-6-4-3-5-7-14)11-22-19(25)16-12-23-21-24(20(16)26)17-9-8-15(27-2)10-18(17)28-21/h3-10,12-13H,11H2,1-2H3,(H,22,25)