tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-3-sulfanylidene-propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-3-sulfanylidene-propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[3-[(2-benzyloxy-2-oxo-ethyl)amino]-2-(tert-butoxycarbonylamino)-3-thioxo-propyl]imidazole-1-carboxylate CAS Name: 4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(2-oxo-2-phenylmethoxyethyl)amino]-3-sulfanylidenepropyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-oxo-2-phenylmethoxyethyl)amino]-3-sulfanylidenepropyl]imidazole-1-carboxylate Traditional Name: 4-[3-[(2-benzoxy-2-keto-ethyl)amino]-2-(tert-butoxycarbonylamino)-3-thioxo-propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C25H34N4O6S MolecularWeight: 518.62566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=S)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=S)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H34N4O6S/c1-24(2,3)34-22(31)28-19(12-18-14-29(16-27-18)23(32)35-25(4,5)6)21(36)26-13-20(30)33-15-17-10-8-7-9-11-17/h7-11,14,16,19H,12-13,15H2,1-6H3,(H,26,36)(H,28,31)