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

Systemtic Name: 5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H26BrN3O3S MolecularWeight: 552.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C27H26BrN3O3S/c1-17-22(29-25(32)19-10-11-19)8-5-9-23(17)30-27(35)31-26(33)21-16-20(28)12-13-24(21)34-15-14-18-6-3-2-4-7-18/h2-9,12-13,16,19H,10-11,14-15H2,1H3,(H,29,32)(H2,30,31,33,35)