ethyl 4-[[5-chloranyl-2-[(phenylmethyl)amino]phenyl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-chloranyl-2-[(phenylmethyl)amino]phenyl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(benzylamino)-5-chloro-phenyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[5-chloro-2-[(phenylmethyl)amino]anilino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(benzylamino)-5-chlorophenyl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-(benzylamino)-5-chloro-phenyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)Cl)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN4O2S/c1-2-29-22(28)27-12-10-18(11-13-27)25-21(30)26-20-14-17(23)8-9-19(20)24-15-16-6-4-3-5-7-16/h3-9,14,18,24H,2,10-13,15H2,1H3,(H2,25,26,30)