propan-2-yl 3-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]-3-phenyl-propionic acid isopropyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C23H25N3O4S/c1-15(2)30-21(28)14-19(16-8-4-3-5-9-16)24-20(27)12-13-26-22(29)17-10-6-7-11-18(17)25-23(26)31/h3-11,15,19H,12-14H2,1-2H3,(H,24,27)(H,25,31)