2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

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