N-[4-[2-[(2-methyl-1-phenyl-propan-2-yl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-1H-indole-4-carboxamide

Systemtic Name: N-[4-[2-[(2-methyl-1-phenyl-propan-2-yl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-1H-indole-4-carboxamide Openeye Name: N-[3-[2-[(1,1-dimethyl-2-phenyl-ethyl)carbamoyl]phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-1H-indole-4-carboxamide CAS Name: N-[3-hydroxy-4-[2-[[(2-methyl-1-phenylpropan-2-yl)amino]-oxomethyl]phenyl]-1-(2-naphthalenylthio)butan-2-yl]-1H-indole-4-carboxamide IUPAC Name: N-[3-hydroxy-4-[2-[(2-methyl-1-phenylpropan-2-yl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfanylbutan-2-yl]-1H-indole-4-carboxamide Traditional Name: N-[3-[2-[(1,1-dimethyl-2-phenyl-ethyl)carbamoyl]phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-1H-indole-4-carboxamide Formula: C40H39N3O3S MolecularWeight: 641.82096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2CC(C(CSC3=CC4=CC=CC=C4C=C3)NC(=O)C5=C6C=CNC6=CC=C5)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2CC(C(CSC3=CC4=CC=CC=C4C=C3)NC(=O)C5=C6C=CNC6=CC=C5)O

InChI

InChI=1S/C40H39N3O3S/c1-40(2,25-27-11-4-3-5-12-27)43-39(46)32-16-9-8-15-30(32)24-37(44)36(26-47-31-20-19-28-13-6-7-14-29(28)23-31)42-38(45)34-17-10-18-35-33(34)21-22-41-35/h3-23,36-37,41,44H,24-26H2,1-2H3,(H,42,45)(H,43,46)