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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-p-phenetyl-3-[4-[2-(3-pyridyl)piperidino]sulfonylphenyl]thiourea Formula: C25H28N4O3S2 MolecularWeight: 496.64482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C4=CN=CC=C4

InChI

InChI=1S/C25H28N4O3S2/c1-2-32-22-12-8-20(9-13-22)27-25(33)28-21-10-14-23(15-11-21)34(30,31)29-17-4-3-7-24(29)19-6-5-16-26-18-19/h5-6,8-16,18,24H,2-4,7,17H2,1H3,(H2,27,28,33)