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

Systemtic Name: 1-[7-(1-cyano-2-phenyl-ethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[7-(1-cyano-2-phenyl-ethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[7-(1-cyano-2-phenylethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[7-(1-cyano-2-phenylethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[7-(1-cyano-2-phenyl-ethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])C(CC3=CC=CC=C3)C#N

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])C(CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H17N5O3S/c1-2-21-18(25)23-19-22-14-8-9-15(24(26)27)16(17(14)28-19)13(11-20)10-12-6-4-3-5-7-12/h3-9,13H,2,10H2,1H3,(H2,21,22,23,25)