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

Systemtic Name: N-(4-propan-2-ylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-p-cumenyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-13(2)14-7-9-15(10-8-14)24-18(26)11-27-21-20-19(22-12-23-21)16-5-3-4-6-17(16)25-20/h3-10,12-13,25H,11H2,1-2H3,(H,24,26)