1-[6-(diethylamino)-5-nitro-1,3-benzothiazol-2-yl]thiourea

Systemtic Name: 1-[6-(diethylamino)-5-nitro-1,3-benzothiazol-2-yl]thiourea Openeye Name: [6-(diethylamino)-5-nitro-1,3-benzothiazol-2-yl]thiourea CAS Name: [6-(diethylamino)-5-nitro-1,3-benzothiazol-2-yl]thiourea IUPAC Name: [6-(diethylamino)-5-nitro-1,3-benzothiazol-2-yl]thiourea Traditional Name: [6-(diethylamino)-5-nitro-1,3-benzothiazol-2-yl]thiourea Formula: C12H15N5O2S2 MolecularWeight: 325.4098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C2C(=C1)SC(=N2)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C2C(=C1)SC(=N2)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O2S2/c1-3-16(4-2)8-6-10-7(5-9(8)17(18)19)14-12(21-10)15-11(13)20/h5-6H,3-4H2,1-2H3,(H3,13,14,15,20)