N-(diphenylmethyl)-N-methyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(diphenylmethyl)-N-methyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-benzhydryl-N-methyl-acetamide CAS Name: N-(diphenylmethyl)-N-methyl-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-benzhydryl-N-methyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-benzhydryl-N-methyl-acetamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C27H25N3O2S/c1-3-18-30-26(32)22-16-10-11-17-23(22)28-27(30)33-19-24(31)29(2)25(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h3-17,25H,1,18-19H2,2H3