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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(4-nitrophenyl)methylthio]-4-oxo-3-phenethyl-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propylquinazoline-7-carboxamide Traditional Name: 4-keto-2-[(4-nitrobenzyl)thio]-3-phenethyl-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=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O4S/c1-2-15-28-25(32)21-10-13-23-24(17-21)29-27(36-18-20-8-11-22(12-9-20)31(34)35)30(26(23)33)16-14-19-6-4-3-5-7-19/h3-13,17H,2,14-16,18H2,1H3,(H,28,32)