3-tert-butylsulfanyl-N-(4-cyano-1-propyl-piperidin-4-yl)-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]propanamide

Systemtic Name: 3-tert-butylsulfanyl-N-(4-cyano-1-propyl-piperidin-4-yl)-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]propanamide Openeye Name: 3-tert-butylsulfanyl-N-(4-cyano-1-propyl-4-piperidyl)-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide CAS Name: 3-(tert-butylthio)-N-(4-cyano-1-propyl-4-piperidinyl)-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide IUPAC Name: 3-tert-butylsulfanyl-N-(4-cyano-1-propylpiperidin-4-yl)-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide Traditional Name: 3-(tert-butylthio)-N-(4-cyano-1-propyl-4-piperidyl)-2-[(2-keto-1,3-benzoxazin-4-yl)amino]propionamide Formula: C24H33N5O3S MolecularWeight: 471.61552

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)(C#N)NC(=O)C(CSC(C)(C)C)NC2=NC(=O)OC3=CC=CC=C32

Isomeric SMILES

CCCN1CCC(CC1)(C#N)NC(=O)C(CSC(C)(C)C)NC2=NC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C24H33N5O3S/c1-5-12-29-13-10-24(16-25,11-14-29)28-21(30)18(15-33-23(2,3)4)26-20-17-8-6-7-9-19(17)32-22(31)27-20/h6-9,18H,5,10-15H2,1-4H3,(H,28,30)(H,26,27,31)