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

Systemtic Name: 4-ethoxy-3-nitro-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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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)CN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-2-30-20-11-8-17(14-19(20)26(28)29)21(27)24-22(31)23-18-9-6-16(7-10-18)15-25-12-4-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H2,23,24,27,31)