1-(2-ethyl-6-methyl-phenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-[2-(3-pyridyl)piperidino]sulfonylphenyl]thiourea Formula: C26H30N4O2S2 MolecularWeight: 494.672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4)C

InChI

InChI=1S/C26H30N4O2S2/c1-3-20-9-6-8-19(2)25(20)29-26(33)28-22-12-14-23(15-13-22)34(31,32)30-17-5-4-11-24(30)21-10-7-16-27-18-21/h6-10,12-16,18,24H,3-5,11,17H2,1-2H3,(H2,28,29,33)