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

Systemtic Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-butan-2-yl-quinazolin-4-one Openeye Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-sec-butyl-quinazolin-4-one CAS Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-butan-2-yl-4-quinazolinone IUPAC Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-butan-2-ylquinazolin-4-one Traditional Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-3-sec-butyl-quinazolin-4-one Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H27N3O4S/c1-5-16(2)30-26(32)20-8-6-7-9-22(20)28-27(30)35-14-23(31)21-12-17(3)29(18(21)4)19-10-11-24-25(13-19)34-15-33-24/h6-13,16H,5,14-15H2,1-4H3