2-[[4-(1H-indol-3-ylcarbonyl)phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one

Systemtic Name: 2-[[4-(1H-indol-3-ylcarbonyl)phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one Openeye Name: 2-[[4-(1H-indole-3-carbonyl)phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 2-[[4-[1H-indol-3-yl(oxo)methyl]phenyl]methylthio]-3,5-dimethyl-4-quinazolinone IUPAC Name: 2-[[4-(1H-indole-3-carbonyl)phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one Traditional Name: 2-[[4-(1H-indole-3-carbonyl)benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C26H21N3O2S MolecularWeight: 439.52884

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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)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H21N3O2S/c1-16-6-5-9-22-23(16)25(31)29(2)26(28-22)32-15-17-10-12-18(13-11-17)24(30)20-14-27-21-8-4-3-7-19(20)21/h3-14,27H,15H2,1-2H3