N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[(3-nitrobenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C32H32N4O4S MolecularWeight: 568.68588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5

InChI

InChI=1S/C32H32N4O4S/c37-30(33-18-16-23-8-3-1-4-9-23)26-14-15-28-29(21-26)34-32(41-22-25-12-7-13-27(20-25)36(39)40)35(31(28)38)19-17-24-10-5-2-6-11-24/h2,5-8,10-15,20-21H,1,3-4,9,16-19,22H2,(H,33,37)