propan-2-yl 3-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]-3-phenyl-propanoate CAS Name: 3-[[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]-3-phenylpropanoate Traditional Name: 3-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]-3-phenyl-propionic acid isopropyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C26H31N3O4S/c1-18(2)33-24(31)17-22(19-11-5-3-6-12-19)27-23(30)15-7-4-10-16-29-25(32)20-13-8-9-14-21(20)28-26(29)34/h3,5-6,8-9,11-14,18,22H,4,7,10,15-17H2,1-2H3,(H,27,30)(H,28,34)