N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide CAS Name: N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]butyramide Formula: C16H20F3N3OS MolecularWeight: 359.40971

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCC2

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCC2

InChI

InChI=1S/C16H20F3N3OS/c1-2-5-14(23)21-15(24)20-12-10-11(16(17,18)19)6-7-13(12)22-8-3-4-9-22/h6-7,10H,2-5,8-9H2,1H3,(H2,20,21,23,24)