(2R)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-propanamide

Systemtic Name: (2R)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-propanamide Openeye Name: (2R)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenethyl-propanamide CAS Name: (2R)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-phenethylpropanamide IUPAC Name: (2R)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylpropanamide Traditional Name: (2R)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-phenethyl-propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C23H27N3O2S/c1-16(2)15-26-22(28)19-11-7-8-12-20(19)25-23(26)29-17(3)21(27)24-14-13-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)/t17-/m1/s1