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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(p-tolylmethyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(4-methylbenzyl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43

InChI

InChI=1S/C20H18N4OS/c1-13-6-8-14(9-7-13)10-21-17(25)11-26-20-19-18(22-12-23-20)15-4-2-3-5-16(15)24-19/h2-9,12,24H,10-11H2,1H3,(H,21,25)