5-bromanyl-2-ethoxy-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C21H23BrN4O4S/c1-4-30-17-10-7-14(22)11-16(17)20(29)24-21(31)26-25-19(28)13-5-8-15(9-6-13)23-18(27)12(2)3/h5-12H,4H2,1-3H3,(H,23,27)(H,25,28)(H2,24,26,29,31)