4-ethoxy-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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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)CN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-2-29-19-10-7-16(13-18(19)25(27)28)20(26)23-21(30)22-17-8-5-15(6-9-17)14-24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H2,22,23,26,30)