2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC)C

InChI

InChI=1S/C23H24N4O3S/c1-5-14-8-6-7-13(2)20(14)27-19(28)11-31-23-22-21(24-12-25-23)15-9-17(29-3)18(30-4)10-16(15)26-22/h6-10,12,26H,5,11H2,1-4H3,(H,27,28)