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

Systemtic Name: N-(3,5-dimethylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(3,5-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=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43)C

Isomeric SMILES

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

InChI

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