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

Systemtic Name: 3-ethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O4S2/c1-2-28-18-8-6-7-16(15-18)20(25)23-21(29)22-17-9-11-19(12-10-17)30(26,27)24-13-4-3-5-14-24/h6-12,15H,2-5,13-14H2,1H3,(H2,22,23,25,29)