1-(3-morpholin-4-ylpropyl)-3-[3-(3-nitro-1,2,4-triazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(3-morpholin-4-ylpropyl)-3-[3-(3-nitro-1,2,4-triazol-1-yl)propanoylamino]thiourea Openeye Name: 1-(3-morpholinopropyl)-3-[3-(3-nitro-1,2,4-triazol-1-yl)propanoylamino]thiourea CAS Name: 1-[3-(4-morpholinyl)propyl]-3-[[3-(3-nitro-1,2,4-triazol-1-yl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-morpholin-4-ylpropyl)-3-[3-(3-nitro-1,2,4-triazol-1-yl)propanoylamino]thiourea Traditional Name: 1-(3-morpholinopropyl)-3-[3-(3-nitro-1,2,4-triazol-1-yl)propanoylamino]thiourea Formula: C13H22N8O4S MolecularWeight: 386.42998

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=S)NNC(=O)CCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC(=S)NNC(=O)CCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H22N8O4S/c22-11(2-5-20-10-15-12(18-20)21(23)24)16-17-13(26)14-3-1-4-19-6-8-25-9-7-19/h10H,1-9H2,(H,16,22)(H2,14,17,26)