N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-morpholino-3-nitro-benzamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-12-2-4-14-17(10-12)28-19(20-14)21-18(24)13-3-5-15(16(11-13)23(25)26)22-6-8-27-9-7-22/h3,5,11-12H,2,4,6-10H2,1H3,(H,20,21,24)/t12-/m0/s1