4-ethoxy-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[4-(4-methylpiperidino)phenyl]thiocarbamoyl]-3-nitro-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)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-3-30-20-9-4-16(14-19(20)26(28)29)21(27)24-22(31)23-17-5-7-18(8-6-17)25-12-10-15(2)11-13-25/h4-9,14-15H,3,10-13H2,1-2H3,(H2,23,24,27,31)