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

Systemtic Name: 3-bromanyl-N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H21BrN4O4S MolecularWeight: 505.38484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)Br

InChI

InChI=1S/C21H21BrN4O4S/c1-2-30-17-10-7-14(11-16(17)22)19(28)24-21(31)26-25-20(29)13-5-8-15(9-6-13)23-18(27)12-3-4-12/h5-12H,2-4H2,1H3,(H,23,27)(H,25,29)(H2,24,26,28,31)