1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]urea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]urea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(2-oxo-1-pyrrolidinyl)propyl]urea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea Traditional Name: 1-[3-(2-ketopyrrolidino)propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S/c21-13-3-1-7-19(13)8-2-6-16-14(22)18-15-17-11-5-4-10(20(23)24)9-12(11)25-15/h4-5,9H,1-3,6-8H2,(H2,16,17,18,22)