3-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]anilino)propanamide CAS Name: 3-(N-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]anilino)propionamide Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C24H27ClN4O3S/c1-16(2)10-12-29-23(32)19-9-8-17(25)14-20(19)27-24(29)33-15-22(31)28(13-11-21(26)30)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H2,26,30)