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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-keto-3-(4-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=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

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

InChI

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