5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-2-furamide Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(O2)Br)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(O2)Br)NC(=O)C3CC3

InChI

InChI=1S/C17H16BrN3O3S/c1-9-11(19-15(22)10-5-6-10)3-2-4-12(9)20-17(25)21-16(23)13-7-8-14(18)24-13/h2-4,7-8,10H,5-6H2,1H3,(H,19,22)(H2,20,21,23,25)