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

Systemtic Name: 3-(4-ethoxyphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-ethoxyphenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C32H32N4O3S MolecularWeight: 552.68648

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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)CC6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCC(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C32H32N4O3S/c1-2-39-25-14-12-24(13-15-25)36-31(38)30-29(26-10-6-7-11-27(26)33-30)34-32(36)40-21-28(37)35-18-16-23(17-19-35)20-22-8-4-3-5-9-22/h3-15,23,33H,2,16-21H2,1H3