N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O4S2/c1-3-4-10-19-34-25-14-9-8-13-24(25)26(31)29-27(35)28-22-15-17-23(18-16-22)36(32,33)30(2)20-21-11-6-5-7-12-21/h5-9,11-18H,3-4,10,19-20H2,1-2H3,(H2,28,29,31,35)