tert-butyl 4-[[(2-aminophenyl)carbamothioylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2-aminophenyl)carbamothioylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(2-aminophenyl)carbamothioylamino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(2-aminoanilino)-sulfanylidenemethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(2-aminophenyl)carbamothioylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(2-aminophenyl)thiocarbamoylamino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=S)NC2=CC=CC=C2N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=S)NC2=CC=CC=C2N

InChI

InChI=1S/C18H28N4O2S/c1-18(2,3)24-17(23)22-10-8-13(9-11-22)12-20-16(25)21-15-7-5-4-6-14(15)19/h4-7,13H,8-12,19H2,1-3H3,(H2,20,21,25)