2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-thienylmethyl)propanamide CAS Name: 2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2-thenyl)propionamide Formula: C20H22BrN3O2S2 MolecularWeight: 480.44158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H22BrN3O2S2/c1-12(2)11-24-19(26)16-9-14(21)6-7-17(16)23-20(24)28-13(3)18(25)22-10-15-5-4-8-27-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)