3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: N-isopropyl-3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: N-isopropyl-4-keto-3-(3-methoxyphenyl)-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C26H24N4O5S MolecularWeight: 504.55756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O5S/c1-16(2)27-24(31)18-9-12-22-23(13-18)28-26(36-15-17-7-10-19(11-8-17)30(33)34)29(25(22)32)20-5-4-6-21(14-20)35-3/h4-14,16H,15H2,1-3H3,(H,27,31)