N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-2-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-2-propan-2-ylsulfanyl-benzamide Openeye Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-isopropylsulfanyl-benzamide CAS Name: N-[5-[2-[[(3-bromophenyl)-oxomethyl]amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-(propan-2-ylthio)benzamide IUPAC Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-propan-2-ylsulfanylbenzamide Traditional Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-(isopropylthio)benzamide Formula: C21H21BrN4O2S2 MolecularWeight: 505.45104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br

InChI

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