ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(4-bromo-3-methyl-phenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(4-bromo-3-methylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-3-methylphenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(4-bromo-3-methyl-phenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C16H22BrN3O2S MolecularWeight: 400.33378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C16H22BrN3O2S/c1-3-22-16(21)20-8-6-12(7-9-20)18-15(23)19-13-4-5-14(17)11(2)10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H2,18,19,23)