N-[[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: N-[[4-[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)benzyl]thiophene-2-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O2S2/c25-20(23-13-19-24-16-4-1-2-5-17(16)28-19)15-9-7-14(8-10-15)12-22-21(26)18-6-3-11-27-18/h1-11H,12-13H2,(H,22,26)(H,23,25)