N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenyl-propanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenyl-propanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-phenyl-propanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-phenylpropanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-phenyl-propionamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O2S/c22-16-9-10-18-19(13-16)27-21(23-18)24(14-17-7-4-12-26-17)20(25)11-8-15-5-2-1-3-6-15/h1-7,9-10,12-13H,8,11,14H2