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

Systemtic Name: 4-phenethyloxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 4-phenethyloxy-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 4-phenethyloxy-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-phenethyloxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 4-phenethyloxy-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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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=C(C=C3)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S2/c31-26(22-9-13-24(14-10-22)34-20-17-21-7-3-1-4-8-21)29-27(35)28-23-11-15-25(16-12-23)36(32,33)30-18-5-2-6-19-30/h1,3-4,7-16H,2,5-6,17-20H2,(H2,28,29,31,35)