N-(4-bromophenyl)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide

Systemtic Name: N-(4-bromophenyl)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide Openeye Name: N-(4-bromophenyl)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide CAS Name: N-(4-bromophenyl)-2-[[5-[(1-oxo-3-phenylpropyl)amino]-1,3,4-thiadiazol-2-yl]thio]butanamide IUPAC Name: N-(4-bromophenyl)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide Traditional Name: N-(4-bromophenyl)-2-[[5-(hydrocinnamoylamino)-1,3,4-thiadiazol-2-yl]thio]butyramide Formula: C21H21BrN4O2S2 MolecularWeight: 505.45104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21BrN4O2S2/c1-2-17(19(28)23-16-11-9-15(22)10-12-16)29-21-26-25-20(30-21)24-18(27)13-8-14-6-4-3-5-7-14/h3-7,9-12,17H,2,8,13H2,1H3,(H,23,28)(H,24,25,27)