3-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-4-keto-2-[(3-nitrobenzyl)thio]-N-propyl-quinazoline-7-carboxamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C27H26N4O4S/c1-4-10-28-25(32)20-8-9-23-24(15-20)29-27(36-16-19-6-5-7-21(14-19)31(34)35)30(26(23)33)22-12-17(2)11-18(3)13-22/h5-9,11-15H,4,10,16H2,1-3H3,(H,28,32)