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

Systemtic Name: 2-ethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 2-ethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 2-ethoxy-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-ethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 2-ethoxy-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23N3O4S2/c1-2-27-18-8-4-3-7-17(18)19(24)22-20(28)21-15-9-11-16(12-10-15)29(25,26)23-13-5-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,21,22,24,28)