2-[4-azanyl-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl]-3-(4-ethanoylphenyl)quinazolin-4-one

Systemtic Name: 2-[4-azanyl-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl]-3-(4-ethanoylphenyl)quinazolin-4-one Openeye Name: 3-(4-acetylphenyl)-2-[4-amino-2-(4-chloroanilino)thiazol-5-yl]quinazolin-4-one CAS Name: 3-(4-acetylphenyl)-2-[4-amino-2-(4-chloroanilino)-5-thiazolyl]-4-quinazolinone IUPAC Name: 3-(4-acetylphenyl)-2-[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]quinazolin-4-one Traditional Name: 3-(4-acetylphenyl)-2-[4-amino-2-(4-chloroanilino)thiazol-5-yl]quinazolin-4-one Formula: C25H18ClN5O2S MolecularWeight: 487.96072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=C(N=C(S4)NC5=CC=C(C=C5)Cl)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=C(N=C(S4)NC5=CC=C(C=C5)Cl)N

InChI

InChI=1S/C25H18ClN5O2S/c1-14(32)15-6-12-18(13-7-15)31-23(29-20-5-3-2-4-19(20)24(31)33)21-22(27)30-25(34-21)28-17-10-8-16(26)9-11-17/h2-13H,27H2,1H3,(H,28,30)