3-butan-2-yloxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-butan-2-yloxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]-3-sec-butoxy-benzamide CAS Name: 3-butan-2-yloxy-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butan-2-yloxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]-3-sec-butoxy-benzamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

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