1-(3-azanylpropyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-(3-azanylpropyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Openeye Name: 1-(3-aminopropyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-(3-aminopropyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-(3-aminopropyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-(3-aminopropyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N5O3S/c12-4-1-5-13-10(17)15-11-14-8-3-2-7(16(18)19)6-9(8)20-11/h2-3,6H,1,4-5,12H2,(H2,13,14,15,17)