2-[[3-(2,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[3-(2,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[3-(2,5-dimethylphenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-propyl-acetamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)C)NC4=CC=CC=C42

Isomeric SMILES

CCCNC(=O)CSC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)C)NC4=CC=CC=C42

InChI

InChI=1S/C23H24N4O2S/c1-4-11-24-19(28)13-30-23-26-20-16-7-5-6-8-17(16)25-21(20)22(29)27(23)18-12-14(2)9-10-15(18)3/h5-10,12,25H,4,11,13H2,1-3H3,(H,24,28)