tert-butyl N-[[3-(carbamothioylamino)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Systemtic Name: tert-butyl N-[[3-(carbamothioylamino)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Openeye Name: tert-butyl N-(tert-butoxycarbonylamino)-N-[[3-(carbamothioylamino)phenyl]methyl]carbamate CAS Name: N-[[3-(carbamothioylamino)phenyl]methyl]-N-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-(carbamothioylamino)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Traditional Name: N-(tert-butoxycarbonylamino)-N-(3-thioureidobenzyl)carbamic acid tert-butyl ester Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1=CC(=CC=C1)NC(=S)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1=CC(=CC=C1)NC(=S)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H28N4O4S/c1-17(2,3)25-15(23)21-22(16(24)26-18(4,5)6)11-12-8-7-9-13(10-12)20-14(19)27/h7-10H,11H2,1-6H3,(H,21,23)(H3,19,20,27)