4-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]-N-phenyl-benzamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c29-23(26-19-6-2-1-3-7-19)18-12-10-17(11-13-18)16-31-25-27-22-9-5-4-8-21(22)24(30)28(25)20-14-15-20/h1-13,20H,14-16H2,(H,26,29)