N-(3-chloranyl-4-methyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C19H19ClF3N3S MolecularWeight: 413.88747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H19ClF3N3S/c1-13-5-6-15(12-17(13)20)24-18(27)26-9-7-25(8-10-26)16-4-2-3-14(11-16)19(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,27)