N-(2,5-dimethoxyphenyl)-2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C21H20N4O4S/c1-25-20(27)19-18(13-6-4-5-7-14(13)23-19)24-21(25)30-11-17(26)22-15-10-12(28-2)8-9-16(15)29-3/h4-10,23H,11H2,1-3H3,(H,22,26)