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

Systemtic Name: ethyl 4-[4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[3-(2,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoyl]piperazine-1-carboxylate CAS Name: 4-[4-[[3-(2,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[3-(2,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H26Cl2N4O4S MolecularWeight: 549.46934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H26Cl2N4O4S/c1-2-35-25(34)30-13-11-29(12-14-30)22(32)8-5-15-36-24-28-20-7-4-3-6-18(20)23(33)31(24)21-10-9-17(26)16-19(21)27/h3-4,6-7,9-10,16H,2,5,8,11-15H2,1H3