N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]-2-morpholino-5-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=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl)C(=O)C5=CC=CS5

Isomeric SMILES

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

InChI

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