2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C18H23N5OS2 MolecularWeight: 389.53812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(S2)NC(C)(C)C

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(S2)NC(C)(C)C

InChI

InChI=1S/C18H23N5OS2/c1-13(25-17-22-21-16(26-17)20-18(2,3)4)15(24)23(12-8-11-19)14-9-6-5-7-10-14/h5-7,9-10,13H,8,12H2,1-4H3,(H,20,21)