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

Systemtic Name: ethyl 4-[2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4S/c1-4-33-25(32)28-13-11-27(12-14-28)22(30)16-34-24-26-21-8-6-5-7-20(21)23(31)29(24)19-10-9-17(2)18(3)15-19/h5-10,15H,4,11-14,16H2,1-3H3