3-bromanyl-5-methoxy-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-5-methoxy-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-4-propoxy-benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-bromo-5-methoxy-4-propoxy-benzamide CAS Name: 3-bromo-5-methoxy-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-4-propoxybenzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-bromo-5-methoxy-4-propoxy-benzamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H20BrN3O3S/c1-3-9-27-18-15(21)11-14(12-16(18)26-2)19(25)22-20-24-23-17(28-20)10-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,22,24,25)