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

Systemtic Name: 3-propoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-propoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: 3-propoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-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(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H25N3O3S/c1-2-14-28-19-7-5-6-17(15-19)20(26)24-22(29)23-18-10-8-16(9-11-18)21(27)25-12-3-4-13-25/h5-11,15H,2-4,12-14H2,1H3,(H2,23,24,26,29)