ethyl 4-[(2-aminophenyl)carbamothioyl-(phenylmethyl)amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(2-aminophenyl)carbamothioyl-(phenylmethyl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2-aminophenyl)carbamothioyl-benzyl-amino]piperidine-1-carboxylate CAS Name: 4-[[(2-aminoanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-aminophenyl)carbamothioyl-benzylamino]piperidine-1-carboxylate Traditional Name: 4-[(2-aminophenyl)thiocarbamoyl-benzyl-amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3N

InChI

InChI=1S/C22H28N4O2S/c1-2-28-22(27)25-14-12-18(13-15-25)26(16-17-8-4-3-5-9-17)21(29)24-20-11-7-6-10-19(20)23/h3-11,18H,2,12-16,23H2,1H3,(H,24,29)