3-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]propanamide CAS Name: 3-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]propionamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3S/c1-2-3-14-28-23(31)19-11-7-8-12-20(19)26-24(28)32-17-22(30)27(15-13-21(25)29)16-18-9-5-4-6-10-18/h4-12H,2-3,13-17H2,1H3,(H2,25,29)