N-[4-[3-(tert-butylcarbamoyl)thiophen-2-yl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]isoquinoline-5-carboxamide

Systemtic Name: N-[4-[3-(tert-butylcarbamoyl)thiophen-2-yl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]isoquinoline-5-carboxamide Openeye Name: N-[3-[3-(tert-butylcarbamoyl)-2-thienyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]isoquinoline-5-carboxamide CAS Name: N-[4-[3-[(tert-butylamino)-oxomethyl]-2-thiophenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-5-isoquinolinecarboxamide IUPAC Name: N-[4-[3-(tert-butylcarbamoyl)thiophen-2-yl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]isoquinoline-5-carboxamide Traditional Name: N-[3-[3-(tert-butylcarbamoyl)-2-thienyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]isoquinoline-5-carboxamide Formula: C33H33N3O3S2 MolecularWeight: 583.76342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(SC=C1)CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC5=C4C=CN=C5)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(SC=C1)CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC5=C4C=CN=C5)O

InChI

InChI=1S/C33H33N3O3S2/c1-33(2,3)36-32(39)27-14-16-40-30(27)18-29(37)28(20-41-24-12-11-21-7-4-5-8-22(21)17-24)35-31(38)26-10-6-9-23-19-34-15-13-25(23)26/h4-17,19,28-29,37H,18,20H2,1-3H3,(H,35,38)(H,36,39)