N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]acetamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)C

InChI

InChI=1S/C25H30N4O3S/c1-16(2)12-13-29-24(32)19-9-5-6-10-21(19)28-25(29)33-15-23(31)26-14-22(30)27-20-11-7-8-17(3)18(20)4/h5-11,16H,12-15H2,1-4H3,(H,26,31)(H,27,30)