N-[3,5-bis(trifluoromethyl)phenyl]azepane-1-carbothioamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]azepane-1-carbothioamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]azepane-1-carbothioamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-azepanecarbothioamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]azepane-1-carbothioamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]azepane-1-carbothioamide Formula: C15H16F6N2S MolecularWeight: 370.356359

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H16F6N2S/c16-14(17,18)10-7-11(15(19,20)21)9-12(8-10)22-13(24)23-5-3-1-2-4-6-23/h7-9H,1-6H2,(H,22,24)