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

Systemtic Name: phenyl N-[[4-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)carbamoyl]phenyl]carbamothioyl]carbamate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C29H21N5O4S MolecularWeight: 535.57314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)NC(=S)NC(=O)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)NC(=S)NC(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H21N5O4S/c35-26(20-15-17-21(18-16-20)30-28(39)32-29(37)38-22-11-5-2-6-12-22)33-34-25(19-9-3-1-4-10-19)31-24-14-8-7-13-23(24)27(34)36/h1-18H,(H,33,35)(H2,30,32,37,39)