2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C22H20N4O4S/c1-12(27)13-5-4-6-14(7-13)25-19(28)10-31-22-21-20(23-11-24-22)15-8-17(29-2)18(30-3)9-16(15)26-21/h4-9,11,26H,10H2,1-3H3,(H,25,28)