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

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(4-methylbenzyl)acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C22H22N4O2S/c1-3-26-21(28)20-19(16-6-4-5-7-17(16)24-20)25-22(26)29-13-18(27)23-12-15-10-8-14(2)9-11-15/h4-11,24H,3,12-13H2,1-2H3,(H,23,27)