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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2,3-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=C(C(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4)C

Isomeric SMILES

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

InChI

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