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

Systemtic Name: N,N-bis[(2R)-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,N-bis[(1R)-1-methylpropyl]acetamide CAS Name: N,N-bis[(2R)-butan-2-yl]-2-[[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N,N-bis[(2R)-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,N-bis[(1R)-1-methylpropyl]acetamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-6-17(3)27(18(4)7-2)23(29)16-32-25-26-20-13-9-8-12-19(20)24(30)28(25)21-14-10-11-15-22(21)31-5/h8-15,17-18H,6-7,16H2,1-5H3/t17-,18-/m1/s1