S-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioate

Systemtic Name: S-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioate Openeye Name: S-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioate CAS Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioic acid S-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] ester IUPAC Name: S-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioate Traditional Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]thiocarbamic acid S-(3,5-ditert-butyl-4-hydroxy-benzyl) ester Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC(=O)NCCC2=CNC3=C2C=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC(=O)NCCC2=CNC3=C2C=C(C=C3)OC

InChI

InChI=1S/C27H36N2O3S/c1-26(2,3)21-12-17(13-22(24(21)30)27(4,5)6)16-33-25(31)28-11-10-18-15-29-23-9-8-19(32-7)14-20(18)23/h8-9,12-15,29-30H,10-11,16H2,1-7H3,(H,28,31)