N-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-(phenacylthio)-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-keto-2-(phenacylthio)-3-phenethyl-quinazoline-7-carboxamide Formula: C32H26ClN3O3S MolecularWeight: 568.08514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H26ClN3O3S/c33-26-13-7-10-23(18-26)20-34-30(38)25-14-15-27-28(19-25)35-32(40-21-29(37)24-11-5-2-6-12-24)36(31(27)39)17-16-22-8-3-1-4-9-22/h1-15,18-19H,16-17,20-21H2,(H,34,38)