1-[[5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpyridin-2-yl]amino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpyridin-2-yl]amino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[5-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-pyridyl]amino]thiourea CAS Name: 1-[[5-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-pyridinyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpyridin-2-yl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[5-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-pyridyl]amino]thiourea Formula: C16H25N5O2S2 MolecularWeight: 383.532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CN=C(C=C2)NNC(=S)NCC=C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CN=C(C=C2)NNC(=S)NCC=C)C

InChI

InChI=1S/C16H25N5O2S2/c1-4-7-17-16(24)20-19-15-6-5-14(9-18-15)25(22,23)21-10-12(2)8-13(3)11-21/h4-6,9,12-13H,1,7-8,10-11H2,2-3H3,(H,18,19)(H2,17,20,24)/t12-,13-/m1/s1