3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethyl-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-1-ethyl-1-(4-pyridylmethyl)thiourea CAS Name: 3-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-1-ethyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-1-ethyl-1-(4-pyridylmethyl)thiourea Formula: C22H30N4O2S2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C

InChI

InChI=1S/C22H30N4O2S2/c1-4-25(16-19-12-14-23-15-13-19)22(29)24-20-8-10-21(11-9-20)30(27,28)26-17(2)6-5-7-18(26)3/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,29)