2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C27H27N3O2S/c1-4-15-30-26(32)22-12-8-9-13-24(22)28-27(30)33-18-25(31)23-17-19(2)29(20(23)3)16-14-21-10-6-5-7-11-21/h4-13,17H,1,14-16,18H2,2-3H3