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

Systemtic Name: 4-heptoxy-N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: 4-heptoxy-N-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoyl]-4-heptoxy-benzamide Formula: C29H35N3O4S2 MolecularWeight: 553.7359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O4S2/c1-3-4-5-6-10-21-36-26-17-13-24(14-18-26)28(33)31-29(37)30-25-15-19-27(20-16-25)38(34,35)32(2)22-23-11-8-7-9-12-23/h7-9,11-20H,3-6,10,21-22H2,1-2H3,(H2,30,31,33,37)