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

Systemtic Name: N-(3,4-dichlorophenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: N-(3,4-dichlorophenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: N-(3,4-dichlorophenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: N-(3,4-dichlorophenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: N-(3,4-dichlorophenyl)-2-[[3-(3,5-dimethylphenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]acetamide Formula: C26H20Cl2N4O2S MolecularWeight: 523.4336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC(=C(C=C5)Cl)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC(=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C26H20Cl2N4O2S/c1-14-9-15(2)11-17(10-14)32-25(34)24-23(18-5-3-4-6-21(18)30-24)31-26(32)35-13-22(33)29-16-7-8-19(27)20(28)12-16/h3-12,30H,13H2,1-2H3,(H,29,33)