1-(6-nitro-1,3-benzothiazol-2-yl)-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(tetrahydrofurfuryl)thiourea Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S2/c18-17(19)8-3-4-10-11(6-8)22-13(15-10)16-12(21)14-7-9-2-1-5-20-9/h3-4,6,9H,1-2,5,7H2,(H2,14,15,16,21)