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

Systemtic Name: (2S)-N-[(4-methylphenyl)methyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: (2S)-N-[(4-methylphenyl)methyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-[(4-methylphenyl)methyl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(4-methylbenzyl)propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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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)N2CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C23H27N3O2S/c1-15(2)14-26-22(28)19-7-5-6-8-20(19)25-23(26)29-17(4)21(27)24-13-18-11-9-16(3)10-12-18/h5-12,15,17H,13-14H2,1-4H3,(H,24,27)/t17-/m0/s1