4-[(3-methylphenyl)carbamothioylamino]-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide

Systemtic Name: 4-[(3-methylphenyl)carbamothioylamino]-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide Openeye Name: 4-(m-tolylcarbamothioylamino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide CAS Name: 4-[[(3-methylanilino)-sulfanylidenemethyl]amino]-N-(4-oxo-2-phenyl-3-quinazolinyl)benzamide IUPAC Name: 4-[(3-methylphenyl)carbamothioylamino]-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide Traditional Name: N-(4-keto-2-phenyl-quinazolin-3-yl)-4-(m-tolylthiocarbamoylamino)benzamide Formula: C29H23N5O2S MolecularWeight: 505.59022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H23N5O2S/c1-19-8-7-11-23(18-19)31-29(37)30-22-16-14-21(15-17-22)27(35)33-34-26(20-9-3-2-4-10-20)32-25-13-6-5-12-24(25)28(34)36/h2-18H,1H3,(H,33,35)(H2,30,31,37)