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

Systemtic Name: 3-bromanyl-N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C20H19BrN4O4S MolecularWeight: 491.35826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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