3-butoxy-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]benzamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C22H26ClN3O2S/c1-2-3-14-28-17-9-6-8-16(15-17)21(27)25-22(29)24-19-11-7-10-18(23)20(19)26-12-4-5-13-26/h6-11,15H,2-5,12-14H2,1H3,(H2,24,25,27,29)