2-[6-bromanyl-3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-bis(phenylmethyl)ethanamide

Systemtic Name: 2-[6-bromanyl-3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-bis(phenylmethyl)ethanamide Openeye Name: N,N-dibenzyl-2-[6-bromo-3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[6-bromo-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N,N-bis(phenylmethyl)acetamide IUPAC Name: N,N-dibenzyl-2-[6-bromo-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N,N-dibenzyl-2-[[6-bromo-4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C31H26BrN3O3S MolecularWeight: 600.52544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H26BrN3O3S/c1-38-26-15-13-25(14-16-26)35-30(37)27-18-24(32)12-17-28(27)33-31(35)39-21-29(36)34(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23/h2-18H,19-21H2,1H3