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

Systemtic Name: (2S)-N-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2S)-N-[(4-methoxyphenyl)methyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-[(4-methoxyphenyl)methyl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-p-anisyl-propionamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C23H27N3O3S/c1-15(2)14-26-22(28)19-7-5-6-8-20(19)25-23(26)30-16(3)21(27)24-13-17-9-11-18(29-4)12-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,24,27)/t16-/m0/s1