1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(3-phenothiazin-10-ylpropanoylamino)thiourea

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(3-phenothiazin-10-ylpropanoylamino)thiourea Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-phenothiazin-10-ylpropanoylamino)thiourea CAS Name: 1-[4-(difluoromethylthio)phenyl]-3-[[1-oxo-3-(10-phenothiazinyl)propyl]amino]thiourea IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-phenothiazin-10-ylpropanoylamino)thiourea Traditional Name: 1-[4-(difluoromethylthio)phenyl]-3-(3-phenothiazin-10-ylpropanoylamino)thiourea Formula: C23H20F2N4OS3 MolecularWeight: 502.622906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)NNC(=S)NC4=CC=C(C=C4)SC(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)NNC(=S)NC4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C23H20F2N4OS3/c24-22(25)32-16-11-9-15(10-12-16)26-23(31)28-27-21(30)13-14-29-17-5-1-3-7-19(17)33-20-8-4-2-6-18(20)29/h1-12,22H,13-14H2,(H,27,30)(H2,26,28,31)