4-[2-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(6-morpholino-3-pyridyl)methylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[6-(4-morpholinyl)-3-pyridinyl]methylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(6-morpholin-4-ylpyridin-3-yl)methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[(6-morpholino-3-pyridyl)methylamino]ethyl]thio]-3-nitro-benzamide Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)CNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)CNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S/c20-19(26)14-2-3-16(15(9-14)24(27)28)30-12-18(25)22-11-13-1-4-17(21-10-13)23-5-7-29-8-6-23/h1-4,9-10H,5-8,11-12H2,(H2,20,26)(H,22,25)