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

Systemtic Name: 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-(5H-pyrimido[5,4-b]indol-4-ylthio)-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-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:

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

Isomeric SMILES

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

InChI

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