1-[3-[[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-[(4-chlorophenyl)methylamino]-2-quinazolinyl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-[(4-chlorobenzyl)amino]quinazolin-2-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O2S/c1-16(30)18-9-12-23(31-2)19(13-18)15-32-25-28-22-6-4-3-5-21(22)24(29-25)27-14-17-7-10-20(26)11-8-17/h3-13H,14-15H2,1-2H3,(H,27,28,29)