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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O3S2/c1-10(2)9-19-16(26)20-15(25)11(3)28-17-22-21-14(12-5-4-8-27-12)23(17)7-6-13(18)24/h4-5,8,10-11H,6-7,9H2,1-3H3,(H2,18,24)(H2,19,20,25,26)