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

Systemtic Name: 3-(4-methylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-methylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCC5

InChI

InChI=1S/C24H24N4O2S/c1-16-9-11-17(12-10-16)28-23(30)22-21(18-7-3-4-8-19(18)25-22)26-24(28)31-15-20(29)27-13-5-2-6-14-27/h3-4,7-12,25H,2,5-6,13-15H2,1H3