(2S)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide

Systemtic Name: (2S)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-ethylphenyl)propionamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27N3O4S/c1-5-18-10-12-19(13-11-18)28-25(31)17(2)35-27-29-22-9-7-6-8-21(22)26(32)30(27)20-14-15-23(33-3)24(16-20)34-4/h6-17H,5H2,1-4H3,(H,28,31)/t17-/m0/s1