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

Systemtic Name: 1-(7-nitro-4-pyrrolidin-1-yl-1,3-benzothiazol-2-yl)thiourea Openeye Name: (7-nitro-4-pyrrolidin-1-yl-1,3-benzothiazol-2-yl)thiourea CAS Name: [7-nitro-4-(1-pyrrolidinyl)-1,3-benzothiazol-2-yl]thiourea IUPAC Name: (7-nitro-4-pyrrolidin-1-yl-1,3-benzothiazol-2-yl)thiourea Traditional Name: (7-nitro-4-pyrrolidino-1,3-benzothiazol-2-yl)thiourea Formula: C12H13N5O2S2 MolecularWeight: 323.39392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C3C(=C(C=C2)[N+](=O)[O-])SC(=N3)NC(=S)N

Isomeric SMILES

C1CCN(C1)C2=C3C(=C(C=C2)[N+](=O)[O-])SC(=N3)NC(=S)N

InChI

InChI=1S/C12H13N5O2S2/c13-11(20)15-12-14-9-7(16-5-1-2-6-16)3-4-8(17(18)19)10(9)21-12/h3-4H,1-2,5-6H2,(H3,13,14,15,20)