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

Systemtic Name: 4-hexoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C24H31N3O4S2/c1-2-3-4-7-18-31-21-12-8-19(9-13-21)23(28)26-24(32)25-20-10-14-22(15-11-20)33(29,30)27-16-5-6-17-27/h8-15H,2-7,16-18H2,1H3,(H2,25,26,28,32)