2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N,N'-bis(phenylmethyl)propanediamide

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N,N'-bis(phenylmethyl)propanediamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N,N'-dibenzyl-propanediamide CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N,N'-bis(phenylmethyl)propanediamide IUPAC Name: N,N'-dibenzyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanediamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N,N'-dibenzyl-malonamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SC(C(=O)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SC(C(=O)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H26N4O3S/c1-2-17-32-27(35)22-15-9-10-16-23(22)31-28(32)36-24(25(33)29-18-20-11-5-3-6-12-20)26(34)30-19-21-13-7-4-8-14-21/h2-16,24H,1,17-19H2,(H,29,33)(H,30,34)