tert-butyl N-[[3-(carbamothioylamino)phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-(carbamothioylamino)phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-(carbamothioylamino)phenyl]methyl]carbamate CAS Name: N-[[3-(carbamothioylamino)phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-(carbamothioylamino)phenyl]methyl]carbamate Traditional Name: N-(3-thioureidobenzyl)carbamic acid tert-butyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)NC(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)NC(=S)N

InChI

InChI=1S/C13H19N3O2S/c1-13(2,3)18-12(17)15-8-9-5-4-6-10(7-9)16-11(14)19/h4-7H,8H2,1-3H3,(H,15,17)(H3,14,16,19)