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

Systemtic Name: 5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H26BrN3O3S MolecularWeight: 552.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)NC(=O)C4CC4

InChI

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