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

Systemtic Name: N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H31N7O6S MolecularWeight: 569.63264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H31N7O6S/c34-25(19-3-5-21(24(17-19)33(37)38)29-7-1-2-8-29)27-26(40)31-11-9-28(10-12-31)20-4-6-22(32(35)36)23(18-20)30-13-15-39-16-14-30/h3-6,17-18H,1-2,7-16H2,(H,27,34,40)