2-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 2-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 2-(2-phenoxyethoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 2-(2-phenoxyethoxy)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O5S2/c30-25(23-10-4-5-11-24(23)34-19-18-33-21-8-2-1-3-9-21)28-26(35)27-20-12-14-22(15-13-20)36(31,32)29-16-6-7-17-29/h1-5,8-15H,6-7,16-19H2,(H2,27,28,30,35)