2-(2-methylphenoxy)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(2-methylphenoxy)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(2-methylphenoxy)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(2-methylphenoxy)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-methylphenoxy)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(2-methylphenoxy)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]acetamide Formula: C24H29N5O5S MolecularWeight: 499.58256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C24H29N5O5S/c1-18-4-2-3-5-22(18)34-17-23(30)25-24(35)28-10-8-26(9-11-28)19-6-7-20(29(31)32)21(16-19)27-12-14-33-15-13-27/h2-7,16H,8-15,17H2,1H3,(H,25,30,35)