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

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dimethylcyclohexyl)propanamide IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2,3-dimethylcyclohexyl)propionamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H33N3O4S/c1-16-9-8-12-21(17(16)2)28-25(31)18(3)35-27-29-22-11-7-6-10-20(22)26(32)30(27)19-13-14-23(33-4)24(15-19)34-5/h6-7,10-11,13-18,21H,8-9,12H2,1-5H3,(H,28,31)