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

Systemtic Name: 2-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 3-isopropyl-2-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 3-isopropyl-2-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C22H27N3O2S/c1-13(2)24-15(5)11-18(16(24)6)20(26)12-28-22-23-19-10-8-7-9-17(19)21(27)25(22)14(3)4/h7-11,13-14H,12H2,1-6H3