1-[2-methylsulfonyl-5-[1-oxidanyl-4-(4-phenylpiperazin-1-yl)butyl]phenyl]thiourea

Systemtic Name: 1-[2-methylsulfonyl-5-[1-oxidanyl-4-(4-phenylpiperazin-1-yl)butyl]phenyl]thiourea Openeye Name: [5-[1-hydroxy-4-(4-phenylpiperazin-1-yl)butyl]-2-methylsulfonyl-phenyl]thiourea CAS Name: [5-[1-hydroxy-4-(4-phenyl-1-piperazinyl)butyl]-2-methylsulfonylphenyl]thiourea IUPAC Name: [5-[1-hydroxy-4-(4-phenylpiperazin-1-yl)butyl]-2-methylsulfonylphenyl]thiourea Traditional Name: [5-[1-hydroxy-4-(4-phenylpiperazino)butyl]-2-mesyl-phenyl]thiourea Formula: C22H30N4O3S2 MolecularWeight: 462.6286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CCCN2CCN(CC2)C3=CC=CC=C3)O)NC(=S)N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CCCN2CCN(CC2)C3=CC=CC=C3)O)NC(=S)N

InChI

InChI=1S/C22H30N4O3S2/c1-31(28,29)21-10-9-17(16-19(21)24-22(23)30)20(27)8-5-11-25-12-14-26(15-13-25)18-6-3-2-4-7-18/h2-4,6-7,9-10,16,20,27H,5,8,11-15H2,1H3,(H3,23,24,30)