3-butoxy-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCC3

InChI

InChI=1S/C23H27N3O3S/c1-2-3-15-29-18-10-8-9-17(16-18)21(27)25-23(30)24-20-12-5-4-11-19(20)22(28)26-13-6-7-14-26/h4-5,8-12,16H,2-3,6-7,13-15H2,1H3,(H2,24,25,27,30)