ethyl 3-[[4-(phenylmethyl)piperidin-1-yl]amino]-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: ethyl 3-[[4-(phenylmethyl)piperidin-1-yl]amino]-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: ethyl 3-[(4-benzyl-1-piperidyl)amino]-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]amino]-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzylpiperidin-1-yl)amino]-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-[(4-benzylpiperidino)amino]-2-(2-pyridyl)-3-thioxo-propionic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=N1)C(=S)NN2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=N1)C(=S)NN2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-27-22(26)20(19-10-6-7-13-23-19)21(28)24-25-14-11-18(12-15-25)16-17-8-4-3-5-9-17/h3-10,13,18,20H,2,11-12,14-16H2,1H3,(H,24,28)