N-[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-6-yl]-2,3,5-trimethyl-1H-pyrazol-2-ium-4-carboxamide

Systemtic Name: N-[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-6-yl]-2,3,5-trimethyl-1H-pyrazol-2-ium-4-carboxamide Openeye Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-2,3,5-trimethyl-1H-pyrazol-2-ium-4-carboxamide CAS Name: N-[2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]-2,3,5-trimethyl-1H-pyrazol-2-ium-4-carboxamide IUPAC Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-2,3,5-trimethyl-1H-pyrazol-2-ium-4-carboxamide Traditional Name: N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-2,3,5-trimethyl-1H-pyrazol-2-ium-4-carboxamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](N1)C)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=C(C(=[N+](N1)C)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCCCC4

InChI

InChI=1S/C21H25N5O2S/c1-12-18(13(2)26(3)25-12)20(28)22-15-9-10-16-17(11-15)29-21(23-16)24-19(27)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,22,23,24,27,28)/p+1