ethyl 2-[4-oxidanylidene-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-oxo-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C31H32N4O4S MolecularWeight: 556.67518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N1CCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N1CCC5=CC=CC=C5

InChI

InChI=1S/C31H32N4O4S/c1-2-39-28(36)22-40-31-32-27-21-24(29(37)34-19-17-33(18-20-34)25-11-7-4-8-12-25)13-14-26(27)30(38)35(31)16-15-23-9-5-3-6-10-23/h3-14,21H,2,15-20,22H2,1H3