1,1-bis(2-hydroxyethyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1,1-bis(2-hydroxyethyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1,1-bis(2-hydroxyethyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1,1-bis(2-hydroxyethyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1,1-bis(2-hydroxyethyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1,1-bis(2-hydroxyethyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C12H14N4O4S2 MolecularWeight: 342.39396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=S)N(CCO)CCO

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=S)N(CCO)CCO

InChI

InChI=1S/C12H14N4O4S2/c17-5-3-15(4-6-18)12(21)14-11-13-9-2-1-8(16(19)20)7-10(9)22-11/h1-2,7,17-18H,3-6H2,(H,13,14,21)