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

Systemtic Name: 5-bromanyl-N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H25BrN4O4S MolecularWeight: 581.4808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H25BrN4O4S/c28-20-10-13-23(36-15-14-17-4-2-1-3-5-17)22(16-20)26(35)30-27(37)32-31-25(34)19-8-11-21(12-9-19)29-24(33)18-6-7-18/h1-5,8-13,16,18H,6-7,14-15H2,(H,29,33)(H,31,34)(H2,30,32,35,37)