N-(3-chloranyl-2-methyl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide Formula: C20H20ClF3N4O2S MolecularWeight: 472.91161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClF3N4O2S/c1-13-15(21)4-2-5-16(13)25-19(31)27-9-3-8-26(10-11-27)17-7-6-14(20(22,23)24)12-18(17)28(29)30/h2,4-7,12H,3,8-11H2,1H3,(H,25,31)