2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-p-anisyl-acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C21H20N4O4S/c1-28-13-5-3-12(4-6-13)10-22-17(26)11-25-20(27)19-18(24-21(25)30)15-9-14(29-2)7-8-16(15)23-19/h3-9,23H,10-11H2,1-2H3,(H,22,26)(H,24,30)