2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methoxy-3-phenylmethoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methoxy-3-phenylmethoxy-phenyl)methylideneamino]ethanamide Openeye Name: N-[(3-benzyloxy-4-methoxy-phenyl)methyleneamino]-2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(3-benzoxy-4-methoxy-benzylidene)amino]-2-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C31H25BrN4O4S MolecularWeight: 629.5236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C31H25BrN4O4S/c1-39-27-16-11-22(17-28(27)40-19-21-7-3-2-4-8-21)18-33-35-29(37)20-41-31-34-26-10-6-5-9-25(26)30(38)36(31)24-14-12-23(32)13-15-24/h2-18H,19-20H2,1H3,(H,35,37)