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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C30H28N4O2S MolecularWeight: 508.63392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)NC6=CC=CC=C64

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)NC6=CC=CC=C64

InChI

InChI=1S/C30H28N4O2S/c35-26(33-17-15-22(16-18-33)19-21-9-3-1-4-10-21)20-37-30-32-27-24-13-7-8-14-25(24)31-28(27)29(36)34(30)23-11-5-2-6-12-23/h1-14,22,31H,15-20H2