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

Systemtic Name: 3-(4-nitrophenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-nitrophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-nitrophenyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-nitrophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C28H24N6O4S MolecularWeight: 540.59296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C64

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C64

InChI

InChI=1S/C28H24N6O4S/c35-24(32-16-14-31(15-17-32)19-6-2-1-3-7-19)18-39-28-30-25-22-8-4-5-9-23(22)29-26(25)27(36)33(28)20-10-12-21(13-11-20)34(37)38/h1-13,29H,14-18H2