N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-morpholino-5-nitro-benzamide CAS Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-morpholino-5-nitro-benzamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N/NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C19H19N5O4S/c1-22-16-4-2-3-5-17(16)29-19(22)21-20-18(25)14-12-13(24(26)27)6-7-15(14)23-8-10-28-11-9-23/h2-7,12H,8-11H2,1H3,(H,20,25)/b21-19+