2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-[(tert-butylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(tert-butylcarbamoyl)propionamide Formula: C17H24N6O3S2 MolecularWeight: 424.54086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1CCC(=O)N)C2=CC=CS2

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1CCC(=O)N)C2=CC=CS2

InChI

InChI=1S/C17H24N6O3S2/c1-10(14(25)19-15(26)20-17(2,3)4)28-16-22-21-13(11-6-5-9-27-11)23(16)8-7-12(18)24/h5-6,9-10H,7-8H2,1-4H3,(H2,18,24)(H2,19,20,25,26)