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

Systemtic Name: ethyl 4-[2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H23N5O4S/c1-2-33-24(32)28-13-11-27(12-14-28)21(30)16-34-23-26-20-6-4-3-5-19(20)22(31)29(23)18-9-7-17(15-25)8-10-18/h3-10H,2,11-14,16H2,1H3