2-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-quinazolin-4-one

Systemtic Name: 2-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-quinazolin-4-one Openeye Name: 2-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-methyl-quinazolin-4-one CAS Name: 2-[[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-methyl-4-quinazolinone IUPAC Name: 2-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-methyl-quinazolin-4-one Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C

InChI

InChI=1S/C25H23N3O4S/c1-15-10-19(16(2)28(15)12-17-8-9-22-23(11-17)32-14-31-22)21(29)13-33-25-26-20-7-5-4-6-18(20)24(30)27(25)3/h4-11H,12-14H2,1-3H3