ethyl 1-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(6-benzimidazolo[1,2-c]quinazolinylthio)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(benzimidazolo[1,2-c]quinazolin-6-ylthio)propanoyl]isonipecotic acid ethyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

InChI

InChI=1S/C25H26N4O3S/c1-3-32-24(31)17-12-14-28(15-13-17)23(30)16(2)33-25-27-19-9-5-4-8-18(19)22-26-20-10-6-7-11-21(20)29(22)25/h4-11,16-17H,3,12-15H2,1-2H3