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

Systemtic Name: N-(2,6-dimethylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(2,6-dimethylphenyl)-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=C(C(=CC=C1)C)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4OS/c1-12-6-5-7-13(2)17(12)24-16(25)10-26-20-19-18(21-11-22-20)14-8-3-4-9-15(14)23-19/h3-9,11,23H,10H2,1-2H3,(H,24,25)