ethyl 4-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(2-methoxy-5-phenylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-methoxy-5-phenylphenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(2-methoxy-5-phenyl-phenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N3O3S/c1-3-28-22(26)25-13-11-18(12-14-25)23-21(29)24-19-15-17(9-10-20(19)27-2)16-7-5-4-6-8-16/h4-10,15,18H,3,11-14H2,1-2H3,(H2,23,24,29)