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

Systemtic Name: ethyl 4-[[(2-aminophenyl)amino]carbamothioyl-(phenylmethyl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2-aminoanilino)carbamothioyl-benzyl-amino]piperidine-1-carboxylate CAS Name: 4-[[[(2-aminophenyl)hydrazo]-sulfanylidenemethyl]-(phenylmethyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-aminoanilino)carbamothioyl-benzylamino]piperidine-1-carboxylate Traditional Name: 4-[(2-aminoanilino)thiocarbamoyl-benzyl-amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CC2=CC=CC=C2)C(=S)NNC3=CC=CC=C3N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CC2=CC=CC=C2)C(=S)NNC3=CC=CC=C3N

InChI

InChI=1S/C22H29N5O2S/c1-2-29-22(28)26-14-12-18(13-15-26)27(16-17-8-4-3-5-9-17)21(30)25-24-20-11-7-6-10-19(20)23/h3-11,18,24H,2,12-16,23H2,1H3,(H,25,30)