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

Systemtic Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-ylsulfanyl-benzamide Openeye Name: 2-isopropylsulfanyl-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-(propan-2-ylthio)benzamide IUPAC Name: N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-ylsulfanylbenzamide Traditional Name: 2-(isopropylthio)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)NC2=NN=C(S2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)NC2=NN=C(S2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS2/c1-15(2)26-18-13-7-6-12-17(18)20(25)22-21-24-23-19(27-21)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3,(H,22,24,25)