1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[4-(difluoromethylthio)phenyl]-3-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[4-(difluoromethylthio)phenyl]-3-(2-methoxy-5-piperidinosulfonyl-phenyl)thiourea Formula: C20H23F2N3O3S3 MolecularWeight: 487.606726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C20H23F2N3O3S3/c1-28-18-10-9-16(31(26,27)25-11-3-2-4-12-25)13-17(18)24-20(29)23-14-5-7-15(8-6-14)30-19(21)22/h5-10,13,19H,2-4,11-12H2,1H3,(H2,23,24,29)