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

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(1-imidazolylmethyl)phenyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]thiophene-2-carboxamide Formula: C22H16N4OS2 MolecularWeight: 416.51864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)NC4=CC=CC(=C4)CN5C=CN=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)NC4=CC=CC(=C4)CN5C=CN=C5

InChI

InChI=1S/C22H16N4OS2/c27-21(24-16-5-3-4-15(12-16)13-26-11-10-23-14-26)19-8-9-20(28-19)22-25-17-6-1-2-7-18(17)29-22/h1-12,14H,13H2,(H,24,27)