N-(6-acetamido-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S/c1-12(26)21-14-3-4-15-18(11-14)31-20(22-15)23-19(27)13-2-5-16(17(10-13)25(28)29)24-6-8-30-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,21,26)(H,22,23,27)