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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[(4-keto-3-phenyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

InChI

InChI=1S/C26H22N4O4S/c1-33-17-12-13-21(34-2)20(14-17)27-22(31)15-35-26-29-23-18-10-6-7-11-19(18)28-24(23)25(32)30(26)16-8-4-3-5-9-16/h3-14,28H,15H2,1-2H3,(H,27,31)