N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-4-oxo-3-phenethyl-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-4-keto-3-phenethyl-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C31H31N3O2S MolecularWeight: 509.66174

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

C=CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O2S/c1-2-22-12-14-24(15-13-22)21-37-31-33-28-20-25(29(35)32-26-10-6-7-11-26)16-17-27(28)30(36)34(31)19-18-23-8-4-3-5-9-23/h2-5,8-9,12-17,20,26H,1,6-7,10-11,18-19,21H2,(H,32,35)