4-ethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-5-31-17-9-6-13(10-16(17)25(28)29)20(27)24-21(32)22-14-7-8-15(18(11-14)30-4)23-19(26)12(2)3/h6-12H,5H2,1-4H3,(H,23,26)(H2,22,24,27,32)