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

Systemtic Name: N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-2-butylsulfanyl-benzamide Openeye Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-butylsulfanyl-benzamide CAS Name: N-[5-[2-[[(3-bromophenyl)-oxomethyl]amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-(butylthio)benzamide IUPAC Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-butylsulfanylbenzamide Traditional Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-(butylthio)benzamide Formula: C22H23BrN4O2S2 MolecularWeight: 519.47762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCSC1=CC=CC=C1C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H23BrN4O2S2/c1-2-3-13-30-18-10-5-4-9-17(18)21(29)25-22-27-26-19(31-22)11-12-24-20(28)15-7-6-8-16(23)14-15/h4-10,14H,2-3,11-13H2,1H3,(H,24,28)(H,25,27,29)