tert-butyl N-ethyl-N-[[3-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-ethyl-N-[[3-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]phenyl]methyl]carbamate Openeye Name: tert-butyl N-ethyl-N-[[3-[(3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]phenyl]methyl]carbamate CAS Name: N-ethyl-N-[[3-[[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-ethyl-N-[[3-[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]phenyl]methyl]carbamate Traditional Name: N-ethyl-N-[3-[(3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]benzyl]carbamic acid tert-butyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN(CC)C(=O)OC(C)(C)C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN(CC)C(=O)OC(C)(C)C)NC1=S

InChI

InChI=1S/C25H30N4O4S/c1-6-28(24(32)33-25(3,4)5)15-16-9-8-10-18(13-16)26-21(30)17-11-12-19-20(14-17)27-23(34)29(7-2)22(19)31/h8-14H,6-7,15H2,1-5H3,(H,26,30)(H,27,34)