N-[(4-methylphenyl)methyl]-2-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-N-(p-tolylmethyl)benzamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]benzamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-N-(4-methylbenzyl)benzamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C28H26N4O3S/c1-3-16-32-27(35)22-9-5-7-11-24(22)31-28(32)36-18-25(33)30-23-10-6-4-8-21(23)26(34)29-17-20-14-12-19(2)13-15-20/h3-15H,1,16-18H2,2H3,(H,29,34)(H,30,33)