N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]-4-morpholino-3-nitro-benzamide Formula: C26H26ClN5O5S MolecularWeight: 556.03314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H26ClN5O5S/c27-20-17-19(4-6-21(20)29-7-9-31(10-8-29)26(34)24-2-1-15-38-24)28-25(33)18-3-5-22(23(16-18)32(35)36)30-11-13-37-14-12-30/h1-6,15-17H,7-14H2,(H,28,33)