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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)amino]ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)amino]ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[[2-phenyl-2-(1-pyrrolidinyl)ethyl]amino]ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[(2-phenyl-2-pyrrolidino-ethyl)amino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-15-12-19(24-28-15)23-21(27)16(2)29-14-20(26)22-13-18(25-10-6-7-11-25)17-8-4-3-5-9-17/h3-5,8-9,12,16,18H,6-7,10-11,13-14H2,1-2H3,(H,22,26)(H,23,24,27)