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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S2/c18-17(19)8-1-2-9-10(7-8)22-12(13-9)14-11(21)15-16-3-5-20-6-4-16/h1-2,7H,3-6H2,(H2,13,14,15,21)