(2S)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(4-methylbenzyl)propionamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C24H29N3O2S/c1-16(2)13-14-27-23(29)20-7-5-6-8-21(20)26-24(27)30-18(4)22(28)25-15-19-11-9-17(3)10-12-19/h5-12,16,18H,13-15H2,1-4H3,(H,25,28)/t18-/m0/s1