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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S2/c30-33(31,29-18-5-4-10-24(29)21-9-6-16-26-19-21)23-13-11-22(12-14-23)28-25(32)27-17-15-20-7-2-1-3-8-20/h1-3,6-9,11-14,16,19,24H,4-5,10,15,17-18H2,(H2,27,28,32)