1-ethyl-3-(6-nitro-7-prop-2-enyl-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-ethyl-3-(6-nitro-7-prop-2-enyl-1,3-benzothiazol-2-yl)urea Openeye Name: 1-(7-allyl-6-nitro-1,3-benzothiazol-2-yl)-3-ethyl-urea CAS Name: 1-ethyl-3-(6-nitro-7-prop-2-enyl-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-ethyl-3-(6-nitro-7-prop-2-enyl-1,3-benzothiazol-2-yl)urea Traditional Name: 1-(7-allyl-6-nitro-1,3-benzothiazol-2-yl)-3-ethyl-urea Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c1-3-5-8-10(17(19)20)7-6-9-11(8)21-13(15-9)16-12(18)14-4-2/h3,6-7H,1,4-5H2,2H3,(H2,14,15,16,18)