3-[(2-chlorophenyl)methyl]-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-chlorobenzyl)-4-keto-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H20ClN3O2S/c25-20-9-5-4-8-18(20)15-28-23(30)19-11-10-17(14-21(19)27-24(28)31)22(29)26-13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,31)