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

Systemtic Name: 8-methoxy-N-[2-(4-methylsulfanylphenyl)ethyl]-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Openeye Name: 8-methoxy-N-[2-(4-methylsulfanylphenyl)ethyl]-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide CAS Name: 8-methoxy-N-[2-[4-(methylthio)phenyl]ethyl]-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxamide IUPAC Name: 8-methoxy-N-[2-(4-methylsulfanylphenyl)ethyl]-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Traditional Name: 4-keto-8-methoxy-N-[2-[4-(methylthio)phenyl]ethyl]pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)NCCC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)NCCC4=CC=C(C=C4)SC

InChI

InChI=1S/C21H19N3O3S2/c1-27-14-5-8-17-18(11-14)29-21-23-12-16(20(26)24(17)21)19(25)22-10-9-13-3-6-15(28-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)