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

Systemtic Name: 4-ethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[4-(4-methylpiperazino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H25N5O4S MolecularWeight: 443.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c1-3-30-19-9-4-15(14-18(19)26(28)29)20(27)23-21(31)22-16-5-7-17(8-6-16)25-12-10-24(2)11-13-25/h4-9,14H,3,10-13H2,1-2H3,(H2,22,23,27,31)