3-(3-phenylpropyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-phenylpropyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-phenylpropyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 3-(3-phenylpropyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-phenylpropyl)-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S/c33-27(31-18-6-7-19-31)24-16-14-23(15-17-24)21-35-29-30-26-13-5-4-12-25(26)28(34)32(29)20-8-11-22-9-2-1-3-10-22/h1-5,9-10,12-17H,6-8,11,18-21H2