(3-methylphenyl) N-[[4-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)carbamoyl]phenyl]carbamothioyl]carbamate

Systemtic Name: (3-methylphenyl) N-[[4-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)carbamoyl]phenyl]carbamothioyl]carbamate Openeye Name: m-tolyl N-[[4-[(4-oxo-2-phenyl-quinazolin-3-yl)carbamoyl]phenyl]carbamothioyl]carbamate CAS Name: N-[[4-[oxo-[(4-oxo-2-phenyl-3-quinazolinyl)amino]methyl]anilino]-sulfanylidenemethyl]carbamic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) N-[[4-[(4-oxo-2-phenylquinazolin-3-yl)carbamoyl]phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-[(4-keto-2-phenyl-quinazolin-3-yl)carbamoyl]phenyl]thiocarbamoyl]carbamic acid m-tolyl ester Formula: C30H23N5O4S MolecularWeight: 549.59972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C30H23N5O4S/c1-19-8-7-11-23(18-19)39-30(38)33-29(40)31-22-16-14-21(15-17-22)27(36)34-35-26(20-9-3-2-4-10-20)32-25-13-6-5-12-24(25)28(35)37/h2-18H,1H3,(H,34,36)(H2,31,33,38,40)