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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(2,5-dimethoxyphenyl)-3-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]thiourea CAS Name: 1-(2,5-dimethoxyphenyl)-3-[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]thiourea IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2,5-dimethoxyphenyl)-3-[4-[2-(3-pyridyl)piperidino]sulfonylphenyl]thiourea Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4

InChI

InChI=1S/C25H28N4O4S2/c1-32-20-10-13-24(33-2)22(16-20)28-25(34)27-19-8-11-21(12-9-19)35(30,31)29-15-4-3-7-23(29)18-6-5-14-26-17-18/h5-6,8-14,16-17,23H,3-4,7,15H2,1-2H3,(H2,27,28,34)