2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-[(2-indolin-1-yl-2-keto-ethyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C23H20N4O2S/c1-2-12-27-22(29)21-20(16-8-4-5-9-17(16)24-21)25-23(27)30-14-19(28)26-13-11-15-7-3-6-10-18(15)26/h2-10,24H,1,11-14H2