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

Systemtic Name: 5-bromanyl-2-butoxy-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[3-(cyclopropanecarbonylamino)-4-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(=C(C=C2)C)NC(=O)C3CC3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

InChI

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