2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]quinazolin-4-one Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c1-18-15-22(19(2)28(18)13-14-32-3)24(30)17-33-26-27-23-12-8-7-11-21(23)25(31)29(26)16-20-9-5-4-6-10-20/h4-12,15H,13-14,16-17H2,1-3H3