2-[(3-nitrophenyl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[(3-nitrobenzyl)thio]-6-piperidino-quinazolin-4-one Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O3S/c32-26-24-17-22(29-14-5-2-6-15-29)12-13-25(24)28-27(30(26)18-20-8-3-1-4-9-20)35-19-21-10-7-11-23(16-21)31(33)34/h1,3-4,7-13,16-17H,2,5-6,14-15,18-19H2