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

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-[(tert-butylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(tert-butylcarbamoyl)propionamide Formula: C16H26N6O3S MolecularWeight: 382.48104

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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)C2CC2

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1CCC(=O)N)C2CC2

InChI

InChI=1S/C16H26N6O3S/c1-9(13(24)18-14(25)19-16(2,3)4)26-15-21-20-12(10-5-6-10)22(15)8-7-11(17)23/h9-10H,5-8H2,1-4H3,(H2,17,23)(H2,18,19,24,25)