1-(6-morpholin-4-yl-5-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(6-morpholin-4-yl-5-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: (6-morpholino-5-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: [6-(4-morpholinyl)-5-nitro-1,3-benzothiazol-2-yl]thiourea IUPAC Name: (6-morpholin-4-yl-5-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: (6-morpholino-5-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C12H13N5O3S2 MolecularWeight: 339.39332

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C3C(=C2)SC(=N3)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C3C(=C2)SC(=N3)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S2/c13-11(21)15-12-14-7-5-9(17(18)19)8(6-10(7)22-12)16-1-3-20-4-2-16/h5-6H,1-4H2,(H3,13,14,15,21)