2-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[4-(2-morpholin-4-yl-5-nitro-phenyl)carbonylpiperazin-1-yl]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[4-(2-morpholino-5-nitro-benzoyl)piperazin-1-yl]thiazole-5-carbonitrile CAS Name: 2-[4-[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]-5-thiazolecarbonitrile IUPAC Name: 2-[4-(2-morpholin-4-yl-5-nitrobenzoyl)piperazin-1-yl]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[4-(2-morpholino-5-nitro-benzoyl)piperazino]thiazole-5-carbonitrile Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(S2)C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=NC=C(S2)C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C19H20N6O4S/c20-12-15-13-21-19(30-15)24-5-3-23(4-6-24)18(26)16-11-14(25(27)28)1-2-17(16)22-7-9-29-10-8-22/h1-2,11,13H,3-10H2