2-propoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-propoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 2-propoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 2-propoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-propoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H25N3O3S/c1-2-15-28-19-8-4-3-7-18(19)20(26)24-22(29)23-17-11-9-16(10-12-17)21(27)25-13-5-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,23,24,26,29)