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

Systemtic Name: ethyl 4-[2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-keto-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H24N6O6S MolecularWeight: 536.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

InChI

InChI=1S/C25H24N6O6S/c1-2-37-25(34)29-13-11-28(12-14-29)20(32)15-38-24-27-21-18-5-3-4-6-19(18)26-22(21)23(33)30(24)16-7-9-17(10-8-16)31(35)36/h3-10,26H,2,11-15H2,1H3