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

Systemtic Name: 5-bromanyl-N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H19BrN4O4S MolecularWeight: 491.35826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C20H19BrN4O4S/c1-29-16-9-6-13(21)10-15(16)19(28)23-20(30)25-24-18(27)12-4-7-14(8-5-12)22-17(26)11-2-3-11/h4-11H,2-3H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,30)