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

Systemtic Name: N-[4-(diethylamino)-2-methyl-phenyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-[4-(diethylamino)-2-methyl-phenyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-[4-(diethylamino)-2-methylphenyl]-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-[4-(diethylamino)-2-methylphenyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5OS/c1-4-28(5-2)16-10-11-18(15(3)12-16)26-20(29)13-30-23-22-21(24-14-25-23)17-8-6-7-9-19(17)27-22/h6-12,14,27H,4-5,13H2,1-3H3,(H,26,29)