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

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yl-5-thiocyanato-phenyl]carbamic acid Openeye Name: [2-(tert-butoxycarbonylamino)-4-isopropyl-5-thiocyanato-phenyl]carbamic acid CAS Name: [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-propan-2-yl-5-thiocyanatophenyl]carbamic acid IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yl-5-thiocyanatophenyl]carbamic acid Traditional Name: [2-(tert-butoxycarbonylamino)-4-isopropyl-5-thiocyanato-phenyl]carbamic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-9(2)10-6-11(19-15(22)23-16(3,4)5)12(18-14(20)21)7-13(10)24-8-17/h6-7,9,18H,1-5H3,(H,19,22)(H,20,21)