3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H21N3O2S/c24-19-17-8-4-5-9-18(17)21-20(26)23(19)14-16-13-22(10-11-25-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,26)/p+1/t16-/m1/s1