3-(2-ethylbutanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-(2-ethylbutanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-(2-ethylbutanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-[(2-ethyl-1-oxobutyl)amino]-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(2-ethylbutanoylamino)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-(2-ethylbutanoylamino)-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S2/c1-3-15(4-2)20(27)23-17-10-8-9-16(13-17)21(28)24-22-26-25-19(30-22)14-29-18-11-6-5-7-12-18/h5-13,15H,3-4,14H2,1-2H3,(H,23,27)(H,24,26,28)