1-(3,5-dimethylphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[4-[2-(3-pyridyl)piperidino]sulfonylphenyl]thiourea Formula: C25H28N4O2S2 MolecularWeight: 480.64542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4)C

InChI

InChI=1S/C25H28N4O2S2/c1-18-14-19(2)16-22(15-18)28-25(32)27-21-8-10-23(11-9-21)33(30,31)29-13-4-3-7-24(29)20-6-5-12-26-17-20/h5-6,8-12,14-17,24H,3-4,7,13H2,1-2H3,(H2,27,28,32)