ethyl 4-[[1-[(2-aminophenyl)amino]-1-sulfanylidene-pentan-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(2-aminophenyl)amino]-1-sulfanylidene-pentan-2-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-[(2-aminophenyl)carbamothioyl]butylamino]piperidine-1-carboxylate CAS Name: 4-[[1-(2-aminoanilino)-1-sulfanylidenepentan-2-yl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-aminoanilino)-1-sulfanylidenepentan-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[1-[(2-aminophenyl)thiocarbamoyl]butylamino]piperidine-1-carboxylic acid ethyl ester Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=S)NC1=CC=CC=C1N)NC2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCC(C(=S)NC1=CC=CC=C1N)NC2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H30N4O2S/c1-3-7-17(18(26)22-16-9-6-5-8-15(16)20)21-14-10-12-23(13-11-14)19(24)25-4-2/h5-6,8-9,14,17,21H,3-4,7,10-13,20H2,1-2H3,(H,22,26)