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

Systemtic Name: 5-bromanyl-2-butoxy-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C23H26BrN3O3S MolecularWeight: 504.43984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

InChI

InChI=1S/C23H26BrN3O3S/c1-3-4-12-30-20-11-10-16(24)13-17(20)22(29)27-23(31)26-19-7-5-6-18(14(19)2)25-21(28)15-8-9-15/h5-7,10-11,13,15H,3-4,8-9,12H2,1-2H3,(H,25,28)(H2,26,27,29,31)