N-tert-butyl-2-[3-[2-(tert-butylcarbamoyl)phenyl]-2-oxidanyl-propyl]sulfanyl-5-(pyridin-4-ylmethylamino)benzamide

Systemtic Name: N-tert-butyl-2-[3-[2-(tert-butylcarbamoyl)phenyl]-2-oxidanyl-propyl]sulfanyl-5-(pyridin-4-ylmethylamino)benzamide Openeye Name: N-tert-butyl-2-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-propyl]sulfanyl-5-(4-pyridylmethylamino)benzamide CAS Name: N-tert-butyl-2-[[3-[2-[(tert-butylamino)-oxomethyl]phenyl]-2-hydroxypropyl]thio]-5-(pyridin-4-ylmethylamino)benzamide IUPAC Name: N-tert-butyl-2-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxypropyl]sulfanyl-5-(pyridin-4-ylmethylamino)benzamide Traditional Name: N-tert-butyl-2-[[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-propyl]thio]-5-(4-pyridylmethylamino)benzamide Formula: C31H40N4O3S MolecularWeight: 548.7393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(CSC2=C(C=C(C=C2)NCC3=CC=NC=C3)C(=O)NC(C)(C)C)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1CC(CSC2=C(C=C(C=C2)NCC3=CC=NC=C3)C(=O)NC(C)(C)C)O

InChI

InChI=1S/C31H40N4O3S/c1-30(2,3)34-28(37)25-10-8-7-9-22(25)17-24(36)20-39-27-12-11-23(33-19-21-13-15-32-16-14-21)18-26(27)29(38)35-31(4,5)6/h7-16,18,24,33,36H,17,19-20H2,1-6H3,(H,34,37)(H,35,38)