N-(3-chloranyl-2-methyl-phenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H19ClFN3O2S2 MolecularWeight: 427.943763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19ClFN3O2S2/c1-13-16(19)3-2-4-17(13)21-18(26)22-9-11-23(12-10-22)27(24,25)15-7-5-14(20)6-8-15/h2-8H,9-12H2,1H3,(H,21,26)