2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-[[(tert-butylamino)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NN=C(S1)SCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NN=C(S1)SCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H21N5O2S2/c1-16(2,3)19-13(23)18-14-20-21-15(25-14)24-10-12(22)17-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,22)(H2,18,19,20,23)