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

Systemtic Name: 5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C25H30BrN3O3S MolecularWeight: 532.493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

InChI

InChI=1S/C25H30BrN3O3S/c1-3-4-5-6-13-32-22-12-10-18(26)14-20(22)24(31)29-25(33)27-19-11-7-16(2)21(15-19)28-23(30)17-8-9-17/h7,10-12,14-15,17H,3-6,8-9,13H2,1-2H3,(H,28,30)(H2,27,29,31,33)