ethyl 1-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoyl]nipecotic acid ethyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C24H26N4O3S/c1-2-31-23(30)18-6-5-13-28(15-18)22(29)17-11-9-16(10-12-17)14-25-21-19-7-3-4-8-20(19)26-24(32)27-21/h3-4,7-12,18H,2,5-6,13-15H2,1H3,(H2,25,26,27,32)