N-[2-[3-(cyclohexylcarbonylamino)phenyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

Systemtic Name: N-[2-[3-(cyclohexylcarbonylamino)phenyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-[2-[3-(cyclohexanecarbonylamino)phenyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: N-[2-[3-[[cyclohexyl(oxo)methyl]amino]phenyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-[2-[3-(cyclohexanecarbonylamino)phenyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Traditional Name: N-[2-[3-(cyclohexanecarbonylamino)phenyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C4=CC(=CC=C4)NC(=O)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C4=CC(=CC=C4)NC(=O)C5CCCCC5

InChI

InChI=1S/C27H31N3O2S/c31-25(18-8-3-1-4-9-18)28-21-13-7-12-20(16-21)27-30-23-15-14-22(17-24(23)33-27)29-26(32)19-10-5-2-6-11-19/h7,12-19H,1-6,8-11H2,(H,28,31)(H,29,32)