N-[(3-methoxyphenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-m-anisyl-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43

InChI

InChI=1S/C20H18N4O2S/c1-26-14-6-4-5-13(9-14)10-21-17(25)11-27-20-19-18(22-12-23-20)15-7-2-3-8-16(15)24-19/h2-9,12,24H,10-11H2,1H3,(H,21,25)