ethyl 4-[[2-(thiophen-2-ylmethylamino)phenyl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(thiophen-2-ylmethylamino)phenyl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-thienylmethylamino)phenyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[sulfanylidene-[2-(thiophen-2-ylmethylamino)anilino]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(thiophen-2-ylmethylamino)phenyl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-(2-thenylamino)phenyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2NCC3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC=C2NCC3=CC=CS3

InChI

InChI=1S/C20H26N4O2S2/c1-2-26-20(25)24-11-9-15(10-12-24)22-19(27)23-18-8-4-3-7-17(18)21-14-16-6-5-13-28-16/h3-8,13,15,21H,2,9-12,14H2,1H3,(H2,22,23,27)