3,4,5-triethoxy-N-[[3-[(4-fluorophenyl)sulfonylamino]-4-methoxy-phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[[3-[(4-fluorophenyl)sulfonylamino]-4-methoxy-phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[3-[(4-fluorophenyl)sulfonylamino]-4-methoxy-phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[3-[(4-fluorophenyl)sulfonylamino]-4-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C27H30FN3O7S2 MolecularWeight: 591.671403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H30FN3O7S2/c1-5-36-23-14-17(15-24(37-6-2)25(23)38-7-3)26(32)30-27(39)29-19-10-13-22(35-4)21(16-19)31-40(33,34)20-11-8-18(28)9-12-20/h8-16,31H,5-7H2,1-4H3,(H2,29,30,32,39)