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

Systemtic Name: 2-[[3-(3-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-keto-3-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-phenethyl-acetamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3S/c1-34-20-11-7-10-19(16-20)31-26(33)25-24(21-12-5-6-13-22(21)29-25)30-27(31)35-17-23(32)28-15-14-18-8-3-2-4-9-18/h2-13,16,29H,14-15,17H2,1H3,(H,28,32)