1-(2,6-diethylphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-[4-[2-(3-pyridyl)piperidino]sulfonylphenyl]thiourea Formula: C27H32N4O2S2 MolecularWeight: 508.69858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4

InChI

InChI=1S/C27H32N4O2S2/c1-3-20-9-7-10-21(4-2)26(20)30-27(34)29-23-13-15-24(16-14-23)35(32,33)31-18-6-5-12-25(31)22-11-8-17-28-19-22/h7-11,13-17,19,25H,3-6,12,18H2,1-2H3,(H2,29,30,34)