5-(1,3-benzothiazol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(pyrazol-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C23H18N4OS2 MolecularWeight: 430.54522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)CN5C=CC=N5

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)CN5C=CC=N5

InChI

InChI=1S/C23H18N4OS2/c28-22(24-14-16-6-1-2-7-17(16)15-27-13-5-12-25-27)20-10-11-21(29-20)23-26-18-8-3-4-9-19(18)30-23/h1-13H,14-15H2,(H,24,28)