N-(2-ethyl-6-methyl-phenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-3-14-8-6-7-13(2)18(14)25-17(26)11-27-21-20-19(22-12-23-21)15-9-4-5-10-16(15)24-20/h4-10,12,24H,3,11H2,1-2H3,(H,25,26)