1-[7-(1-cyanoethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[7-(1-cyanoethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[7-(1-cyanoethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[7-(1-cyanoethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[7-(1-cyanoethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[7-(1-cyanoethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])C(C)C#N

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])C(C)C#N

InChI

InChI=1S/C13H13N5O3S/c1-3-15-12(19)17-13-16-8-4-5-9(18(20)21)10(7(2)6-14)11(8)22-13/h4-5,7H,3H2,1-2H3,(H2,15,16,17,19)