N-[3-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-(phenylmethyl)quinazolin-6-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-(phenylmethyl)quinazolin-6-yl]thiophene-2-carboxamide Openeye Name: N-[2-benzyl-3-[(3-chlorophenyl)methyl]-4-oxo-quinazolin-6-yl]thiophene-2-carboxamide CAS Name: N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-(phenylmethyl)-6-quinazolinyl]-2-thiophenecarboxamide IUPAC Name: N-[2-benzyl-3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]thiophene-2-carboxamide Traditional Name: N-[2-benzyl-3-(3-chlorobenzyl)-4-keto-quinazolin-6-yl]thiophene-2-carboxamide Formula: C27H20ClN3O2S MolecularWeight: 485.9846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)N2CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)N2CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H20ClN3O2S/c28-20-9-4-8-19(14-20)17-31-25(15-18-6-2-1-3-7-18)30-23-12-11-21(16-22(23)27(31)33)29-26(32)24-10-5-13-34-24/h1-14,16H,15,17H2,(H,29,32)