3-(4-ethylphenyl)-2-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-ethylphenyl)-2-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 3-(4-ethylphenyl)-2-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methylthio]-4-quinazolinone IUPAC Name: 2-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 2-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methylthio]-3-(4-ethylphenyl)quinazolin-4-one Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4C[NH+](CCO4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@@H]4C[NH+](CCO4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S/c1-2-21-12-14-23(15-13-21)31-27(32)25-10-6-7-11-26(25)29-28(31)34-20-24-19-30(16-17-33-24)18-22-8-4-3-5-9-22/h3-15,24H,2,16-20H2,1H3/p+1/t24-/m0/s1