N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(4-methylpiperazin-1-yl)amino]-2-sulfanylidene-ethanamide

Systemtic Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(4-methylpiperazin-1-yl)amino]-2-sulfanylidene-ethanamide Openeye Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(4-methylpiperazin-1-yl)amino]-2-thioxo-acetamide CAS Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(4-methyl-1-piperazinyl)amino]-2-sulfanylideneacetamide IUPAC Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(4-methylpiperazin-1-yl)amino]-2-sulfanylideneacetamide Traditional Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(4-methylpiperazino)amino]-2-thioxo-acetamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(=S)NN3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(=S)NN3CCN(CC3)C

InChI

InChI=1S/C21H25N5O5S/c1-3-30-17-4-6-18(7-5-17)31-19-13-15(12-16(14-19)26(28)29)22-20(27)21(32)23-25-10-8-24(2)9-11-25/h4-7,12-14H,3,8-11H2,1-2H3,(H,22,27)(H,23,32)