3,4-dimethoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dimethoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4-dimethoxy-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22F3N3O3S MolecularWeight: 453.47789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)OC

InChI

InChI=1S/C21H22F3N3O3S/c1-29-17-8-5-13(11-18(17)30-2)19(28)26-20(31)25-15-12-14(21(22,23)24)6-7-16(15)27-9-3-4-10-27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,25,26,28,31)