2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: 2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-4-oxo-7-quinazolinecarboxylate IUPAC Name: 2-[2-(butylamino)-2-oxoethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(butylamino)-2-keto-ethyl]thio]-3-(2,5-dimethylphenyl)-4-keto-quinazoline-7-carboxylate Formula: C23H24N3O4S- MolecularWeight: 438.51936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)[O-])C(=O)N1C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)[O-])C(=O)N1C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H25N3O4S/c1-4-5-10-24-20(27)13-31-23-25-18-12-16(22(29)30)8-9-17(18)21(28)26(23)19-11-14(2)6-7-15(19)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,24,27)(H,29,30)/p-1