3-(2-phenoxyethoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-(2-phenoxyethoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-(2-phenoxyethoxy)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-(2-phenoxyethoxy)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-phenoxyethoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-(2-phenoxyethoxy)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C27H29N3O5S2 MolecularWeight: 539.66626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O5S2/c31-26(21-8-7-11-24(20-21)35-19-18-34-23-9-3-1-4-10-23)29-27(36)28-22-12-14-25(15-13-22)37(32,33)30-16-5-2-6-17-30/h1,3-4,7-15,20H,2,5-6,16-19H2,(H2,28,29,31,36)