N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-butyl-5-chloranyl-N,3-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-butyl-5-chloranyl-N,3-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-butyl-5-chloro-N,3-dimethyl-pyrazole-4-carboxamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-butyl-5-chloro-N,3-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-butyl-5-chloro-N,3-dimethylpyrazole-4-carboxamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-butyl-5-chloro-N,3-dimethyl-pyrazole-4-carboxamide Formula: C19H23ClN4OS MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N(C)[C@H](C)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H23ClN4OS/c1-5-6-11-24-17(20)16(12(2)22-24)19(25)23(4)13(3)18-21-14-9-7-8-10-15(14)26-18/h7-10,13H,5-6,11H2,1-4H3/t13-/m1/s1