3-(3-morpholin-4-ium-4-ylpropyl)-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(2-naphthalen-2-yl-2-oxoethyl)sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(2-naphthyl)ethyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C27H28N3O3S+ MolecularWeight: 474.59452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H27N3O3S/c31-25(22-11-10-20-6-1-2-7-21(20)18-22)19-34-27-28-24-9-4-3-8-23(24)26(32)30(27)13-5-12-29-14-16-33-17-15-29/h1-4,6-11,18H,5,12-17,19H2/p+1