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

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-keto-3-p-phenetyl-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-phenethyl-acetamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c1-2-35-21-14-12-20(13-15-21)32-27(34)26-25(22-10-6-7-11-23(22)30-26)31-28(32)36-18-24(33)29-17-16-19-8-4-3-5-9-19/h3-15,30H,2,16-18H2,1H3,(H,29,33)