3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-2-[(3-nitrophenyl)methylthio]-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-3-cyclohexyl-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H28N4O4S/c34-27(30-18-20-8-3-1-4-9-20)22-14-15-25-26(17-22)31-29(32(28(25)35)23-11-5-2-6-12-23)38-19-21-10-7-13-24(16-21)33(36)37/h1,3-4,7-10,13-17,23H,2,5-6,11-12,18-19H2,(H,30,34)