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

Systemtic Name: 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-4-(ethylamino)-N-propyl-3H-1,2,3-thiadiazole-5-carboxamide Openeye Name: 2-[(2-benzyloxy-5-bromo-phenyl)methyl]-4-(ethylamino)-N-propyl-3H-thiadiazole-5-carboxamide CAS Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl]-4-(ethylamino)-N-propyl-3H-thiadiazole-5-carboxamide IUPAC Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl]-4-(ethylamino)-N-propyl-3H-thiadiazole-5-carboxamide Traditional Name: 2-(2-benzoxy-5-bromo-benzyl)-4-(ethylamino)-N-propyl-3H-thiadiazole-5-carboxamide Formula: C22H27BrN4O2S MolecularWeight: 491.44438

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(NN(S1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

Isomeric SMILES

CCCNC(=O)C1=C(NN(S1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

InChI

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