2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-N-propyl-3H-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-N-propyl-3H-1,2,3-thiadiazole-5-carboxamide Openeye Name: 2-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-N-propyl-3H-thiadiazole-5-carboxamide CAS Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-propyl-3H-thiadiazole-5-carboxamide IUPAC Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-propyl-3H-thiadiazole-5-carboxamide Traditional Name: 2-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-N-propyl-3H-thiadiazole-5-carboxamide Formula: C22H27BrN4O2S MolecularWeight: 491.44438

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CNN(S1)N(CC)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C1=CNN(S1)N(CC)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27BrN4O2S/c1-3-12-24-22(28)21-14-25-27(30-21)26(4-2)15-18-13-19(23)10-11-20(18)29-16-17-8-6-5-7-9-17/h5-11,13-14,25H,3-4,12,15-16H2,1-2H3,(H,24,28)