N-[(2S)-butan-2-yl]-2-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O3S/c1-4-14(2)22-19(25)13-28-21-23-16-10-6-5-9-15(16)20(26)24(21)17-11-7-8-12-18(17)27-3/h5-12,14H,4,13H2,1-3H3,(H,22,25)/t14-/m0/s1