N-(2,6-diethylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-(2,6-diethylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-(2,6-diethylphenyl)-4-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-(2,6-diethylphenyl)-4-(4-thiazolylmethylthio)benzamide IUPAC Name: N-(2,6-diethylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-(2,6-diethylphenyl)-4-(thiazol-4-ylmethylthio)benzamide Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C21H22N2OS2/c1-3-15-6-5-7-16(4-2)20(15)23-21(24)17-8-10-19(11-9-17)26-13-18-12-25-14-22-18/h5-12,14H,3-4,13H2,1-2H3,(H,23,24)