N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-butoxy-benzamide

Systemtic Name: N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-butoxy-benzamide Openeye Name: N-[1-benzyl-2-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-butoxybenzamide IUPAC Name: N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-butoxybenzamide Traditional Name: N-[1-benzyl-2-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]-4-butoxy-benzamide Formula: C28H27BrN4O3S MolecularWeight: 579.50798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H27BrN4O3S/c1-2-3-16-36-23-14-12-20(13-15-23)25(34)30-24(17-19-8-5-4-6-9-19)26(35)31-28-33-32-27(37-28)21-10-7-11-22(29)18-21/h4-15,18,24H,2-3,16-17H2,1H3,(H,30,34)(H,31,33,35)