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

Systemtic Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-cyclopentyl-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-cyclopentyl-4-keto-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C30H29N3O2S MolecularWeight: 495.63516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

C=CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O2S/c1-2-21-12-14-23(15-13-21)20-36-30-32-27-18-24(28(34)31-25-10-6-7-11-25)16-17-26(27)29(35)33(30)19-22-8-4-3-5-9-22/h2-5,8-9,12-18,25H,1,6-7,10-11,19-20H2,(H,31,34)