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N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenylmethoxy-benzamide

N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenylmethoxy-benzamide

Systemtic Name:N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenylmethoxy-benzamide
Openeye Name:3-benzyloxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide
CAS Name:N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-phenylmethoxybenzamide
IUPAC Name:N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]-3-phenylmethoxybenzamide
Traditional Name:3-benzoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide
Formula: C29H31N5O5S
MolecularWeight: 561.65194
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5


Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5


InChI

InChI=1S/C29H31N5O5S/c35-28(23-7-4-8-25(19-23)39-21-22-5-2-1-3-6-22)30-29(40)33-13-11-31(12-14-33)24-9-10-26(34(36)37)27(20-24)32-15-17-38-18-16-32/h1-10,19-20H,11-18,21H2,(H,30,35,40)


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