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

Systemtic Name: 2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(4-methoxyphenyl)acetamide CAS Name: 2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(4-methoxyphenyl)acetamide Traditional Name: 2-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(4-methoxyphenyl)acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c1-27-12-5-3-11(4-6-12)21-16(25)10-24-19(26)18-17(23-20(24)29)14-9-13(28-2)7-8-15(14)22-18/h3-9,22H,10H2,1-2H3,(H,21,25)(H,23,29)