ethyl 4-[(2-phenylphenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(2-phenylphenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2-phenylphenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(2-phenylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-phenylphenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(2-phenylphenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-2-26-21(25)24-14-12-17(13-15-24)22-20(27)23-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3,(H2,22,23,27)