1-(4-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea CAS Name: 1-(4-fluorophenyl)-3-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[4-(4-methylpiperazino)sulfonylphenyl]thiourea Formula: C18H21FN4O2S2 MolecularWeight: 408.513343

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O2S2/c1-22-10-12-23(13-11-22)27(24,25)17-8-6-16(7-9-17)21-18(26)20-15-4-2-14(19)3-5-15/h2-9H,10-13H2,1H3,(H2,20,21,26)