5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-2-furamide Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)NC(=O)C3CC3

InChI

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