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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-N,N-diethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethoxyphenyl)-N,N-diethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethoxyphenyl)-N,N-diethyl-2-[(4-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethoxyphenyl)-N,N-diethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethoxyphenyl)-N,N-diethyl-4-keto-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C28H28N4O6S MolecularWeight: 548.61012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O6S/c1-5-30(6-2)26(33)19-9-12-24-25(13-19)29-28(39-17-18-7-10-20(11-8-18)32(35)36)31(27(24)34)21-14-22(37-3)16-23(15-21)38-4/h7-16H,5-6,17H2,1-4H3