ethyl 2-[7-(cyclohexylcarbamoyl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(cyclohexylcarbamoyl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-benzyl-7-(cyclohexylcarbamoyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(cyclohexylamino)-oxomethyl]-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-benzyl-7-(cyclohexylcarbamoyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-benzyl-7-(cyclohexylcarbamoyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-2-33-23(30)17-34-26-28-22-15-19(24(31)27-20-11-7-4-8-12-20)13-14-21(22)25(32)29(26)16-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,20H,2,4,7-8,11-12,16-17H2,1H3,(H,27,31)