3-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]propanamide CAS Name: 3-[[2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]propionamide Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

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