N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]amino]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]amino]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-[[(4-isopropylphenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]ethyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[[p-cumenyl(2-thienyl)methyl]amino]ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)NC(C2=CC=C(C=C2)C(C)C)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)NC(C2=CC=C(C=C2)C(C)C)C3=CC=CS3

InChI

InChI=1S/C22H25N3O3S2/c1-14(2)16-6-8-17(9-7-16)22(18-5-4-10-30-18)24-21(27)13-29-12-20(26)23-19-11-15(3)28-25-19/h4-11,14,22H,12-13H2,1-3H3,(H,24,27)(H,23,25,26)