5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-N-propyl-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-N-propyl-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(2-benzyloxy-5-bromo-phenyl)methylamino]-N-propyl-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-N-propyl-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-N-propyl-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(2-benzoxy-5-bromo-benzyl)amino]-N-propyl-1,3,4-thiadiazole-2-carboxamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=NN=C(S1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C1=NN=C(S1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4O2S/c1-2-10-22-18(26)19-24-25-20(28-19)23-12-15-11-16(21)8-9-17(15)27-13-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3,(H,22,26)(H,23,25)