3,5-dimethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H25N3O5S2/c1-28-17-12-15(13-18(14-17)29-2)20(25)23-21(30)22-16-6-8-19(9-7-16)31(26,27)24-10-4-3-5-11-24/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,22,23,25,30)