2-[6-bromanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]ethanamide

Systemtic Name: 2-[6-bromanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[6-bromo-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[[6-bromo-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[6-bromo-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[[6-bromo-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1-phenylethyl]acetamide Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CO4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C23H20BrN3O3S/c1-15(16-6-3-2-4-7-16)25-21(28)14-31-23-26-20-10-9-17(24)12-19(20)22(29)27(23)13-18-8-5-11-30-18/h2-12,15H,13-14H2,1H3,(H,25,28)/t15-/m0/s1