N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]ethyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]amino]ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[[2-pyrrolidino-2-(2-thienyl)ethyl]amino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC(C2=CC=CS2)N3CCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC(C2=CC=CS2)N3CCCC3

InChI

InChI=1S/C19H26N4O3S2/c1-13-10-17(22-26-13)21-19(25)14(2)28-12-18(24)20-11-15(16-6-5-9-27-16)23-7-3-4-8-23/h5-6,9-10,14-15H,3-4,7-8,11-12H2,1-2H3,(H,20,24)(H,21,22,25)