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

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

COC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-27-15-9-10-17-18(12-15)28-21-23-13-16(20(26)24(17)21)19(25)22-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,22,25)