N-[4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[4-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[4-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-2-methyl-phenyl]-2-furamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H20BrN3O4S/c1-12-10-15(6-7-17(12)25-21(28)18-5-4-8-30-18)24-22(31)26-20(27)16-11-14(23)9-13(2)19(16)29-3/h4-11H,1-3H3,(H,25,28)(H2,24,26,27,31)