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

Systemtic Name: (2-methylphenyl) N-[[4-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)carbamoyl]phenyl]carbamothioyl]carbamate Openeye Name: o-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 (2-methylphenyl) ester IUPAC Name: (2-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 o-tolyl ester Formula: C30H23N5O4S MolecularWeight: 549.59972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=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=C1OC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

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