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

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[[3-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[[3-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[[3-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(methylcarbamoyl)benzyl]thiophene-2-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S2/c1-22-19(25)14-6-4-5-13(11-14)12-23-20(26)17-9-10-18(27-17)21-24-15-7-2-3-8-16(15)28-21/h2-11H,12H2,1H3,(H,22,25)(H,23,26)