4-butoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-2-3-16-27-18-12-10-17(11-13-18)21(26)24-22(28)23-19-8-4-5-9-20(19)25-14-6-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H2,23,24,26,28)