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

Systemtic Name: N-[4-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[4-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-2-methyl-phenyl]-2-furamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O4S/c1-12-10-14(6-7-16(12)24-20(27)18-4-3-9-29-18)23-21(30)25-19(26)13-5-8-17(28-2)15(22)11-13/h3-11H,1-2H3,(H,24,27)(H2,23,25,26,30)