2-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Formula: C24H28N6O3S3 MolecularWeight: 544.71252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4

InChI

InChI=1S/C24H28N6O3S3/c1-2-17-10-12-18(13-11-17)27-23-28-29-24(35-23)34-16-22(31)26-19-7-6-8-20(15-19)36(32,33)30-21-9-4-3-5-14-25-21/h6-8,10-13,15H,2-5,9,14,16H2,1H3,(H,25,30)(H,26,31)(H,27,28)