2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[2-(phenylmethyl)phenyl]propanamide

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[2-(phenylmethyl)phenyl]propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-benzylphenyl)propanamide CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[2-(phenylmethyl)phenyl]propanamide IUPAC Name: N-(2-benzylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2-benzylphenyl)propionamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

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