ethyl 4-[2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4S/c1-2-34-26(33)29-17-15-28(16-18-29)23(31)19-35-25-27-22-13-7-6-12-21(22)24(32)30(25)14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13H,2,8,11,14-19H2,1H3