[4-tert-butyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiocyanato-phenyl]carbamic acid

Systemtic Name: [4-tert-butyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiocyanato-phenyl]carbamic acid Openeye Name: [2-(tert-butoxycarbonylamino)-4-tert-butyl-5-thiocyanato-phenyl]carbamic acid CAS Name: [4-tert-butyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-thiocyanatophenyl]carbamic acid IUPAC Name: [4-tert-butyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiocyanatophenyl]carbamic acid Traditional Name: [2-(tert-butoxycarbonylamino)-4-tert-butyl-5-thiocyanato-phenyl]carbamic acid Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1SC#N)NC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1SC#N)NC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H23N3O4S/c1-16(2,3)10-7-11(20-15(23)24-17(4,5)6)12(19-14(21)22)8-13(10)25-9-18/h7-8,19H,1-6H3,(H,20,23)(H,21,22)