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

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(o-tolyl)acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C21H20N4O2S/c1-3-25-20(27)19-18(14-9-5-7-11-16(14)23-19)24-21(25)28-12-17(26)22-15-10-6-4-8-13(15)2/h4-11,23H,3,12H2,1-2H3,(H,22,26)