methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanyl-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[2-(1-ethylpropylamino)-2-keto-ethyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O4S/c1-4-19(5-2)26-22(29)16-33-25-27-21-15-18(24(31)32-3)11-12-20(21)23(30)28(25)14-13-17-9-7-6-8-10-17/h6-12,15,19H,4-5,13-14,16H2,1-3H3,(H,26,29)