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

Systemtic Name: 3-(4-ethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-ethoxyphenyl)-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-ethoxyphenyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-ethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C26H28N4O3S MolecularWeight: 476.59052

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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)N5CCC(CC5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCC(CC5)C

InChI

InChI=1S/C26H28N4O3S/c1-3-33-19-10-8-18(9-11-19)30-25(32)24-23(20-6-4-5-7-21(20)27-24)28-26(30)34-16-22(31)29-14-12-17(2)13-15-29/h4-11,17,27H,3,12-16H2,1-2H3