6-(1,3-benzothiazol-2-yl)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)benzyl]cyclohex-3-ene-1-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)C3CC=CCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)C3CC=CCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H25N3O2S/c29-23(17-12-13-17)27-18-7-5-6-16(14-18)15-26-24(30)19-8-1-2-9-20(19)25-28-21-10-3-4-11-22(21)31-25/h1-7,10-11,14,17,19-20H,8-9,12-13,15H2,(H,26,30)(H,27,29)