4-morpholin-4-yl-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-allyl-4-morpholino-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-allyl-4-morpholino-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC2=C(S1)CCCC2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1=NC2=C(S1)CCCC2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-2-9-24(21-22-16-5-3-4-6-19(16)30-21)20(26)15-7-8-17(18(14-15)25(27)28)23-10-12-29-13-11-23/h2,7-8,14H,1,3-6,9-13H2