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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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