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

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

Systemtic Name:3-butoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Openeye Name:3-butoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CAS Name:3-butoxy-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide
IUPAC Name:3-butoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
Traditional Name:3-butoxy-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide
Formula: C22H27N3O2S
MolecularWeight: 397.53368
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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