2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-17-24(19(3)31)18(2)28-25(17)23(32)16-34-27-29-22-14-8-7-13-21(22)26(33)30(27)15-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-14,28H,9,12,15-16H2,1-3H3