5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

InChI

InChI=1S/C22H24BrN3O3S/c1-3-10-29-19-9-7-15(23)11-17(19)21(28)26-22(30)24-16-8-4-13(2)18(12-16)25-20(27)14-5-6-14/h4,7-9,11-12,14H,3,5-6,10H2,1-2H3,(H,25,27)(H2,24,26,28,30)