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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]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)NC4=CC=CC(=C4C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-4-26-21(28)20-19(15-9-5-6-10-17(15)24-20)25-22(26)29-12-18(27)23-16-11-7-8-13(2)14(16)3/h5-11,24H,4,12H2,1-3H3,(H,23,27)