N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-3-(trifluoromethyl)benzamide CAS Name: N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[1-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-3-(trifluoromethyl)benzamide Formula: C23H21F3N4O4S MolecularWeight: 506.49745

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O4S/c1-3-12(2)18(27-19(31)13-5-4-6-15(9-13)23(24,25)26)20(32)28-22-30-29-21(35-22)14-7-8-16-17(10-14)34-11-33-16/h4-10,12,18H,3,11H2,1-2H3,(H,27,31)(H,28,30,32)