2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: 2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: 2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: 2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: 2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-p-anisyl-propionamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H27N3O3S/c1-17-8-7-9-18(2)24(17)30-26(32)22-10-5-6-11-23(22)29-27(30)34-19(3)25(31)28-16-20-12-14-21(33-4)15-13-20/h5-15,19H,16H2,1-4H3,(H,28,31)