(2R)-3-tert-butylsulfanyl-N-(4-cyano-1-propyl-piperidin-4-yl)-2-[(6-methyl-2-oxidanylidene-1,3-benzoxazin-4-yl)amino]propanamide

Systemtic Name: (2R)-3-tert-butylsulfanyl-N-(4-cyano-1-propyl-piperidin-4-yl)-2-[(6-methyl-2-oxidanylidene-1,3-benzoxazin-4-yl)amino]propanamide Openeye Name: (2R)-3-tert-butylsulfanyl-N-(4-cyano-1-propyl-4-piperidyl)-2-[(6-methyl-2-oxo-1,3-benzoxazin-4-yl)amino]propanamide CAS Name: (2R)-3-(tert-butylthio)-N-(4-cyano-1-propyl-4-piperidinyl)-2-[(6-methyl-2-oxo-1,3-benzoxazin-4-yl)amino]propanamide IUPAC Name: (2R)-3-tert-butylsulfanyl-N-(4-cyano-1-propylpiperidin-4-yl)-2-[(6-methyl-2-oxo-1,3-benzoxazin-4-yl)amino]propanamide Traditional Name: (2R)-3-(tert-butylthio)-N-(4-cyano-1-propyl-4-piperidyl)-2-[(2-keto-6-methyl-1,3-benzoxazin-4-yl)amino]propionamide Formula: C25H35N5O3S MolecularWeight: 485.6421

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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=C2C=C(C=C3)C

Isomeric SMILES

CCCN1CCC(CC1)(C#N)NC(=O)[C@H](CSC(C)(C)C)NC2=NC(=O)OC3=C2C=C(C=C3)C

InChI

InChI=1S/C25H35N5O3S/c1-6-11-30-12-9-25(16-26,10-13-30)29-22(31)19(15-34-24(3,4)5)27-21-18-14-17(2)7-8-20(18)33-23(32)28-21/h7-8,14,19H,6,9-13,15H2,1-5H3,(H,29,31)(H,27,28,32)/t19-/m0/s1