N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C18H19ClF3N3S2 MolecularWeight: 433.94177

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)CC3=CSC=C3

InChI

InChI=1S/C18H19ClF3N3S2/c19-15-3-2-14(18(20,21)22)10-16(15)23-17(26)25-6-1-5-24(7-8-25)11-13-4-9-27-12-13/h2-4,9-10,12H,1,5-8,11H2,(H,23,26)