3,5-dimethyl-2-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,5-dimethyl-2-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[[4-[4-[(E)-cinnamyl]piperazine-1-carbonyl]phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 2-[[4-[4-[(E)-cinnamyl]piperazine-1-carbonyl]benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C31H32N4O2S MolecularWeight: 524.67638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O2S/c1-23-8-6-12-27-28(23)30(37)33(2)31(32-27)38-22-25-13-15-26(16-14-25)29(36)35-20-18-34(19-21-35)17-7-11-24-9-4-3-5-10-24/h3-16H,17-22H2,1-2H3/b11-7+