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

Systemtic Name: ethyl 4-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C23H25N5O3S/c1-2-31-23(30)28-13-11-27(12-14-28)21(29)17-9-7-16(8-10-17)15-24-20-18-5-3-4-6-19(18)25-22(32)26-20/h3-10H,2,11-15H2,1H3,(H2,24,25,26,32)