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

Systemtic Name: 2-ethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 2-ethoxy-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 2-ethoxy-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-ethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 2-ethoxy-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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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)N3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O4S2/c1-2-28-19-9-5-4-8-18(19)20(25)23-21(29)22-16-10-12-17(13-11-16)30(26,27)24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H2,22,23,25,29)