tert-butyl N-[4-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[3-(2-thioxo-1H-imidazol-3-yl)phenyl]carbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[3-(2-sulfanylidene-1H-imidazol-3-yl)anilino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[3-(2-thioxo-4-imidazolin-1-yl)phenyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C=CNC3=S

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C=CNC3=S

InChI

InChI=1S/C21H22N4O3S/c1-21(2,3)28-20(27)24-15-9-7-14(8-10-15)18(26)23-16-5-4-6-17(13-16)25-12-11-22-19(25)29/h4-13H,1-3H3,(H,22,29)(H,23,26)(H,24,27)