1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[1-(phenylmethyl)piperidin-4-yl]thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[1-(phenylmethyl)piperidin-4-yl]thiourea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-[1-(phenylmethyl)-4-piperidinyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiourea Formula: C26H36N4O2S2 MolecularWeight: 500.71964

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H36N4O2S2/c1-20-7-6-8-21(2)30(20)34(31,32)25-13-11-23(12-14-25)27-26(33)28-24-15-17-29(18-16-24)19-22-9-4-3-5-10-22/h3-5,9-14,20-21,24H,6-8,15-19H2,1-2H3,(H2,27,28,33)