3-butoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-2-3-15-29-19-8-6-7-17(16-19)21(26)24-22(30)23-18-9-11-20(12-10-18)31(27,28)25-13-4-5-14-25/h6-12,16H,2-5,13-15H2,1H3,(H2,23,24,26,30)