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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(1-phenylethyl)quinazolin-4-one Openeye Name: 2-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(1-phenylethyl)quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-(1-phenylethyl)-4-quinazolinone IUPAC Name: 2-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-3-(1-phenylethyl)quinazolin-4-one Traditional Name: 2-[[2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(1-phenylethyl)quinazolin-4-one Formula: C29H33N3O2S MolecularWeight: 487.65622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O2S/c1-19(2)15-16-31-20(3)17-25(22(31)5)27(33)18-35-29-30-26-14-10-9-13-24(26)28(34)32(29)21(4)23-11-7-6-8-12-23/h6-14,17,19,21H,15-16,18H2,1-5H3