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

Systemtic Name: tert-butyl N-[[3-[(carbamothioylamino)methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[(carbamothioylamino)methyl]phenyl]methyl]carbamate CAS Name: N-[[3-[(carbamothioylamino)methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[(carbamothioylamino)methyl]phenyl]methyl]carbamate Traditional Name: N-[3-(thioureidomethyl)benzyl]carbamic acid tert-butyl ester Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-14(2,3)19-13(18)17-9-11-6-4-5-10(7-11)8-16-12(15)20/h4-7H,8-9H2,1-3H3,(H,17,18)(H3,15,16,20)