1-(4-morpholin-4-yl-7-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(4-morpholin-4-yl-7-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: (4-morpholino-7-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: [4-(4-morpholinyl)-7-nitro-1,3-benzothiazol-2-yl]thiourea IUPAC Name: (4-morpholin-4-yl-7-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: (4-morpholino-7-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C12H13N5O3S2 MolecularWeight: 339.39332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])SC(=N3)NC(=S)N

Isomeric SMILES

C1COCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])SC(=N3)NC(=S)N

InChI

InChI=1S/C12H13N5O3S2/c13-11(21)15-12-14-9-7(16-3-5-20-6-4-16)1-2-8(17(18)19)10(9)22-12/h1-2H,3-6H2,(H3,13,14,15,21)