4-ethoxy-3-nitro-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C25H25N5O5S2 MolecularWeight: 539.6265

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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)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O5S2/c1-2-35-21-10-5-17(16-20(21)30(33)34)23(31)27-25(36)26-18-6-8-19(9-7-18)28-11-13-29(14-12-28)24(32)22-4-3-15-37-22/h3-10,15-16H,2,11-14H2,1H3,(H2,26,27,31,36)