2-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-propyl-amino]-N-(o-tolyl)acetamide CAS Name: 2-[[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]-propyl-amino]-N-(o-tolyl)acetamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C27H34N4O3S/c1-5-15-30(17-24(32)28-22-12-8-6-10-20(22)4)25(33)18-35-27-29-23-13-9-7-11-21(23)26(34)31(27)16-14-19(2)3/h6-13,19H,5,14-18H2,1-4H3,(H,28,32)