N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide Formula: C35H39N3O3S MolecularWeight: 581.76746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=C5CCCNC5=CC=C4)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=C5CCCNC5=CC=C4)O

InChI

InChI=1S/C35H39N3O3S/c1-35(2,3)38-34(41)27-13-7-6-12-25(27)21-32(39)31(22-42-26-18-17-23-10-4-5-11-24(23)20-26)37-33(40)29-14-8-16-30-28(29)15-9-19-36-30/h4-8,10-14,16-18,20,31-32,36,39H,9,15,19,21-22H2,1-3H3,(H,37,40)(H,38,41)