3-butoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-butoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-butoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-butoxy-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-butoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c1-3-4-14-32-19-7-5-6-17(15-19)22(28)24-23(33)26-12-10-25(11-13-26)20-9-8-18(31-2)16-21(20)27(29)30/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,24,28,33)